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

C17H30N2 — CID 66814125

IUPAC1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(NCC(C)NC2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)18-12-15(3)19-17-9-5-7-14(2)11-17/h10-11,15-19H,4-9,12H2,1-3H3
InChIKeyMTPCYYDPKXMORZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.55
Rot. Bonds5

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

1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (PubChem CID 66814125) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
PubChem CID66814125
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(NCC(C)NC2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)18-12-15(3)19-17-9-5-7-14(2)11-17/h10-11,15-19H,4-9,12H2,1-3H3
InChIKeyMTPCYYDPKXMORZ-UHFFFAOYSA-N
XLogP3.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.55
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-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (CID 66814125) is 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is CC1=CC(NCC(C)NC2C=C(C)CCC2)CCC1.
What is the InChIKey of 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The InChIKey is MTPCYYDPKXMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)18-12-15(3)19-17-9-5-7-14(2)11-17/h10-11,15-19H,4-9,12H2,1-3H3.
What are the key properties of 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is sourced from PubChem (CID 66814125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).