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

C17H30N2 — CID 68741359

IUPAC2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(N(C(C)CN)C2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)19(15(3)12-18)17-9-5-7-14(2)11-17/h10-11,15-17H,4-9,12,18H2,1-3H3
InChIKeyGFHLGBKOUIZIOV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.63
Rot. Bonds4

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

2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (PubChem CID 68741359) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
PubChem CID68741359
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC1=CC(N(C(C)CN)C2C=C(C)CCC2)CCC1
InChIInChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)19(15(3)12-18)17-9-5-7-14(2)11-17/h10-11,15-17H,4-9,12,18H2,1-3H3
InChIKeyGFHLGBKOUIZIOV-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
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 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine (CID 68741359) is 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is CC1=CC(N(C(C)CN)C2C=C(C)CCC2)CCC1.
What is the InChIKey of 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
The InChIKey is GFHLGBKOUIZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-6-4-8-16(10-13)19(15(3)12-18)17-9-5-7-14(2)11-17/h10-11,15-17H,4-9,12,18H2,1-3H3.
What are the key properties of 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine?
2-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 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine is sourced from PubChem (CID 68741359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).