(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine

C15H27N — CID 14658574

IUPAC(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@@](C)(N)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H27N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11,16H2,1-4H3/t14-,15+/m0/s1
InChIKeyQZQOMRYLDNFLCE-LSDHHAIUSA-N
MW221.39 g/mol
LogP4.20
Rot. Bonds4

About (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine

(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine (PubChem CID 14658574) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine.

Molecular Properties

Compound Name(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
PubChem CID14658574
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@@](C)(N)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H27N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11,16H2,1-4H3/t14-,15+/m0/s1
InChIKeyQZQOMRYLDNFLCE-LSDHHAIUSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
CID 163157332
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
CID 163157331
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
CID 42603665
1-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]-3-pentadecylurea
CID 163110463
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene
CID 157051879

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine?
The IUPAC name of (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine (CID 14658574) is (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine.
What is the SMILES notation for (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine?
The canonical SMILES for (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine is CC(C)=CCC[C@@](C)(N)[C@H]1CC=C(C)CC1.
What is the InChIKey of (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine?
The InChIKey is QZQOMRYLDNFLCE-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H27N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11,16H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine?
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine is sourced from PubChem (CID 14658574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).