(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine

C14H25N — CID 657068

IUPAC(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine
SMILESCC(C)=CCCN(C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/t14-/m1/s1
InChIKeyGGPFTSMJRHEOJG-CQSZACIVSA-N
MW207.36 g/mol
LogP3.77
Rot. Bonds4

About (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine

(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine (PubChem CID 657068) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine
PubChem CID657068
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine
SMILESCC(C)=CCCN(C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/t14-/m1/s1
InChIKeyGGPFTSMJRHEOJG-CQSZACIVSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine?
The IUPAC name of (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine (CID 657068) is (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine is CC(C)=CCCN(C)[C@@H]1CC=C(C)CC1.
What is the InChIKey of (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine?
The InChIKey is GGPFTSMJRHEOJG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine?
(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 657068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).