[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride

C16H30ClN — CID 171118726

IUPAC[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride
SMILESCC(C)=CCC[C@@](C)([NH3+])[C@@]1(C)CC=C(C)CC1.[Cl-]
InChIInChI=1S/C16H29N.ClH/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15;/h7-8H,6,9-12,17H2,1-5H3;1H/t15-,16+;/m0./s1
InChIKeyBGHCSPMKUMOKGG-IDVLALEDSA-N
MW271.88 g/mol
LogP0.87
Rot. Bonds4

About [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride

[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride (PubChem CID 171118726) has the molecular formula C16H30ClN and a molecular weight of 271.88 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride
PubChem CID171118726
Molecular FormulaC16H30ClN
Molecular Weight271.88 g/mol
Exact Mass271.21
IUPAC Name[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride
SMILESCC(C)=CCC[C@@](C)([NH3+])[C@@]1(C)CC=C(C)CC1.[Cl-]
InChIInChI=1S/C16H29N.ClH/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15;/h7-8H,6,9-12,17H2,1-5H3;1H/t15-,16+;/m0./s1
InChIKeyBGHCSPMKUMOKGG-IDVLALEDSA-N
XLogP0.87
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.88
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
CID 135296629
2-(3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl)-6-methylhept-5-en-2-ol
CID 14193944
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
(1S,2E,6E,10R)-10-(2-hydroxy-6-methylhept-5-en-2-yl)-3,7-dimethylcyclodeca-2,6-dien-1-ol
CID 162890541
[(1S)-4-methyl-1-(6-methylhepta-1,5-dien-2-yl)cyclohex-3-en-1-yl] acetate
CID 102125310
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
CID 74819495
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
2-methyl-2-[(1S)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
CID 102388255
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
4,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 143132171
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride?
The IUPAC name of [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride (CID 171118726) is [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride?
The canonical SMILES for [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride is CC(C)=CCC[C@@](C)([NH3+])[C@@]1(C)CC=C(C)CC1.[Cl-].
What is the InChIKey of [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride?
The InChIKey is BGHCSPMKUMOKGG-IDVLALEDSA-N. The full InChI is InChI=1S/C16H29N.ClH/c1-13(2)7-6-10-16(5,17)15(4)11-8-14(3)9-12-15;/h7-8H,6,9-12,17H2,1-5H3;1H/t15-,16+;/m0./s1.
What are the key properties of [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride?
[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride has a molecular weight of 271.88 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride is sourced from PubChem (CID 171118726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).