[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide

C21H34N- — CID 163182452

IUPAC[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H]2CC[C@](C)([N-]C)[C@H]3CCC(C)=C[C@@]123
InChIInChI=1S/C21H34N/c1-14(2)17-9-8-16(4)18-11-12-20(5,22-6)19-10-7-15(3)13-21(17,18)19/h13,16-19H,1,7-12H2,2-6H3/q-1/t16-,17+,18+,19+,20-,21+/m0/s1
InChIKeyCLERGHMOVLSGBP-LDIYZUBKSA-N
MW300.51 g/mol
LogP6.12
Rot. Bonds2

About [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide

[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide (PubChem CID 163182452) has the molecular formula C21H34N- and a molecular weight of 300.51 g/mol. Its IUPAC name is [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide.

Molecular Properties

Compound Name[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide
PubChem CID163182452
Molecular FormulaC21H34N-
Molecular Weight300.51 g/mol
Exact Mass300.27
IUPAC Name[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide
SMILESC=C(C)[C@H]1CC[C@H](C)[C@H]2CC[C@](C)([N-]C)[C@H]3CCC(C)=C[C@@]123
InChIInChI=1S/C21H34N/c1-14(2)17-9-8-16(4)18-11-12-20(5,22-6)19-10-7-15(3)13-21(17,18)19/h13,16-19H,1,7-12H2,2-6H3/q-1/t16-,17+,18+,19+,20-,21+/m0/s1
InChIKeyCLERGHMOVLSGBP-LDIYZUBKSA-N
XLogP6.12
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide with MolForge

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Related Compounds

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CID 140875681
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
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(1S,4R,4aS,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163063171
[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide
CID 163131420
3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane
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CID 102515251
(1S,4S,6S,9E,12R,15R)-4,9,12-trimethyl-15-prop-1-en-2-yl-5-oxatricyclo[10.3.0.04,6]pentadec-9-ene
CID 10541394
methyl-[2,5,8-trimethyl-1-(3-methylbuta-1,3-dienyl)-2,3,3a,4,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylen-5-yl]azanide
CID 163143615
[(2S,3aR,5S,5aS,8R,8aS,8bR)-2,5,8-trimethyl-8a-[(1E)-3-methylbuta-1,3-dienyl]-1,2,3,3a,4,5a,6,7,8,8b-decahydroacenaphthylen-5-yl]-methylazanide
CID 163127285
(4aR,8aS)-3,8,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carbaldehyde
CID 44517898
[(1R,3aS,4S,8aS)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-yl]-methylazanide
CID 163159156
[1,4-dimethyl-7-methylidene-6-(2-methylprop-1-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalen-1-yl]-methylazanide
CID 163152926

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide?
The IUPAC name of [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide (CID 163182452) is [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide.
What is the SMILES notation for [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide?
The canonical SMILES for [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide is C=C(C)[C@H]1CC[C@H](C)[C@H]2CC[C@](C)([N-]C)[C@H]3CCC(C)=C[C@@]123.
What is the InChIKey of [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide?
The InChIKey is CLERGHMOVLSGBP-LDIYZUBKSA-N. The full InChI is InChI=1S/C21H34N/c1-14(2)17-9-8-16(4)18-11-12-20(5,22-6)19-10-7-15(3)13-21(17,18)19/h13,16-19H,1,7-12H2,2-6H3/q-1/t16-,17+,18+,19+,20-,21+/m0/s1.
What are the key properties of [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide?
[(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide has a molecular weight of 300.51 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,4aR,7S,7aS,11aR)-4,7,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,7a,8,9-decahydrobenzo[d]naphthalen-7-yl]-methylazanide is sourced from PubChem (CID 163182452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).