[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide

C16H28N- — CID 163121843

IUPAC[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide
SMILESC[N-][C@@]1(C)CC=C2[C@H](C)CC[C@H](C(C)C)[C@H]2C1
InChIInChI=1S/C16H28N/c1-11(2)13-7-6-12(3)14-8-9-16(4,17-5)10-15(13)14/h8,11-13,15H,6-7,9-10H2,1-5H3/q-1/t12-,13-,15-,16+/m1/s1
InChIKeyHQSCGRCHHRBDGQ-XOUADPBQSA-N
MW234.41 g/mol
LogP4.79
Rot. Bonds2

About [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide

[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide (PubChem CID 163121843) has the molecular formula C16H28N- and a molecular weight of 234.41 g/mol. Its IUPAC name is [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide.

Molecular Properties

Compound Name[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide
PubChem CID163121843
Molecular FormulaC16H28N-
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Name[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide
SMILESC[N-][C@@]1(C)CC=C2[C@H](C)CC[C@H](C(C)C)[C@H]2C1
InChIInChI=1S/C16H28N/c1-11(2)13-7-6-12(3)14-8-9-16(4,17-5)10-15(13)14/h8,11-13,15H,6-7,9-10H2,1-5H3/q-1/t12-,13-,15-,16+/m1/s1
InChIKeyHQSCGRCHHRBDGQ-XOUADPBQSA-N
XLogP4.79
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide with MolForge

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Related Compounds

(1R,4R,4aR,6S)-6-isocyano-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,7-hexahydro-1H-naphthalene
CID 10900481
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 135068428
4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
CID 88632745
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
CID 142848470
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
4,7-dimethyl-1-propan-2-yl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 162899785
2-cyclopropylidene-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 174748949
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
CID 149455219
(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 7054201
3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),11-diene
CID 14379068
(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
CID 91748877

Frequently Asked Questions

What is the IUPAC name of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide?
The IUPAC name of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide (CID 163121843) is [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide.
What is the SMILES notation for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide?
The canonical SMILES for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide is C[N-][C@@]1(C)CC=C2[C@H](C)CC[C@H](C(C)C)[C@H]2C1.
What is the InChIKey of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide?
The InChIKey is HQSCGRCHHRBDGQ-XOUADPBQSA-N. The full InChI is InChI=1S/C16H28N/c1-11(2)13-7-6-12(3)14-8-9-16(4,17-5)10-15(13)14/h8,11-13,15H,6-7,9-10H2,1-5H3/q-1/t12-,13-,15-,16+/m1/s1.
What are the key properties of [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide?
[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide has a molecular weight of 234.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide is sourced from PubChem (CID 163121843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).