1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine

C17H30N2 — CID 141199364

IUPAC1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(C(N)(C(C)N)C2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-12-6-4-8-15(10-12)17(19,14(3)18)16-9-5-7-13(2)11-16/h10-11,14-16H,4-9,18-19H2,1-3H3
InChIKeyHWFGNTFLIPWCJO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.52
Rot. Bonds3

About 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine

1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (PubChem CID 141199364) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
PubChem CID141199364
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(C(N)(C(C)N)C2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-12-6-4-8-15(10-12)17(19,14(3)18)16-9-5-7-13(2)11-16/h10-11,14-16H,4-9,18-19H2,1-3H3
InChIKeyHWFGNTFLIPWCJO-UHFFFAOYSA-N
XLogP3.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The IUPAC name of 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (CID 141199364) is 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.
What is the SMILES notation for 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The canonical SMILES for 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is CC1=CC(C(N)(C(C)N)C2C=C(C)CCC2)CCC1.
What is the InChIKey of 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The InChIKey is HWFGNTFLIPWCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-6-4-8-15(10-12)17(19,14(3)18)16-9-5-7-13(2)11-16/h10-11,14-16H,4-9,18-19H2,1-3H3.
What are the key properties of 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is sourced from PubChem (CID 141199364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).