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

C15H28N+ — CID 163105770

IUPAC[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium
SMILESCC(C)=CCC[C@@](C)([NH3+])[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/p+1/t14-,15-/m1/s1
InChIKeyQZQOMRYLDNFLCE-HUUCEWRRSA-O
MW222.40 g/mol
LogP3.48
Rot. Bonds4

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

[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium (PubChem CID 163105770) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium
PubChem CID163105770
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium
SMILESCC(C)=CCC[C@@](C)([NH3+])[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/p+1/t14-,15-/m1/s1
InChIKeyQZQOMRYLDNFLCE-HUUCEWRRSA-O
XLogP3.48
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium with MolForge

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Related Compounds

(1Z,4Z)-7Alphah-11-Aminogermacra-1(10),4-Diene
CID 11276079
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
(4R)-4-[(2S)-2-isocyano-6-methylhept-5-en-2-yl]-1-methylcyclohexene
CID 24179110
2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
CID 162850210
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
3-Methyl-1-nonylcyclopent-3-enamine
CID 86063183
1-Nonylcyclopent-3-en-1-amine
CID 101845174
m-Mesitylendiamin
CID 20208185
2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-1-amine
CID 90960121
Carvylamin
CID 129628524
Menthenamine
CID 129691874

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium?
The IUPAC name of [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium (CID 163105770) is [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium.
What is the SMILES notation for [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium?
The canonical SMILES for [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium is CC(C)=CCC[C@@](C)([NH3+])[C@@H]1CC=C(C)CC1.
What is the InChIKey of [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium?
The InChIKey is QZQOMRYLDNFLCE-HUUCEWRRSA-O. 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/p+1/t14-,15-/m1/s1.
What are the key properties of [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium?
[(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium has a molecular weight of 222.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]azanium is sourced from PubChem (CID 163105770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).