[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide

C16H28N- — CID 163178009

IUPAC[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide
SMILESC[N-][C@@H]1[C@@H](C)CC[C@@]12C=C(C(C)C)CC[C@@H]2C
InChIInChI=1S/C16H28N/c1-11(2)14-7-6-13(4)16(10-14)9-8-12(3)15(16)17-5/h10-13,15H,6-9H2,1-5H3/q-1/t12-,13-,15+,16-/m0/s1
InChIKeyQZNCNAHFHQEWEX-UGQVUOCMSA-N
MW234.41 g/mol
LogP4.79
Rot. Bonds2

About [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide

[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide (PubChem CID 163178009) has the molecular formula C16H28N- and a molecular weight of 234.41 g/mol. Its IUPAC name is [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide.

Molecular Properties

Compound Name[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide
PubChem CID163178009
Molecular FormulaC16H28N-
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Name[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide
SMILESC[N-][C@@H]1[C@@H](C)CC[C@@]12C=C(C(C)C)CC[C@@H]2C
InChIInChI=1S/C16H28N/c1-11(2)14-7-6-13(4)16(10-14)9-8-12(3)15(16)17-5/h10-13,15H,6-9H2,1-5H3/q-1/t12-,13-,15+,16-/m0/s1
InChIKeyQZNCNAHFHQEWEX-UGQVUOCMSA-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 [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide with MolForge

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Related Compounds

(5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]deca-3,6-diene
CID 15860318
N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide
CID 14336922
(1S,6R)-6-methyl-3-propan-2-ylcyclohex-2-en-1-ol
CID 21116256
[(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
7-propan-2-ylspiro[3.4]octa-2,7-diene
CID 123347624
2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
CID 11263703
(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
CID 135019810
4-fluoro-1-propan-2-ylcyclohexene
CID 69179605
3-(4-methylcyclohexen-1-yl)butanal
CID 87256380
4-(2,3-dimethylbutan-2-yl)-1-methylcyclohexene;4-methyl-1,3-di(propan-2-yl)cyclohexene
CID 176571434
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
(5S,6R,10R)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
CID 171119359

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide?
The IUPAC name of [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide (CID 163178009) is [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide.
What is the SMILES notation for [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide?
The canonical SMILES for [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide is C[N-][C@@H]1[C@@H](C)CC[C@@]12C=C(C(C)C)CC[C@@H]2C.
What is the InChIKey of [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide?
The InChIKey is QZNCNAHFHQEWEX-UGQVUOCMSA-N. The full InChI is InChI=1S/C16H28N/c1-11(2)14-7-6-13(4)16(10-14)9-8-12(3)15(16)17-5/h10-13,15H,6-9H2,1-5H3/q-1/t12-,13-,15+,16-/m0/s1.
What are the key properties of [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide?
[(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-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 [(3S,4R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-4-yl]-methylazanide is sourced from PubChem (CID 163178009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).