1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine

C15H32N2 — CID 62623904

IUPAC1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine
SMILESCC1CCC(N(C)CCC(N)C(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-12-6-8-13(9-7-12)17(5)11-10-14(16)15(2,3)4/h12-14H,6-11,16H2,1-5H3
InChIKeyBEGLTYDSIHXEJN-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.26
Rot. Bonds4

About 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine

1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine (PubChem CID 62623904) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine
PubChem CID62623904
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine
SMILESCC1CCC(N(C)CCC(N)C(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-12-6-8-13(9-7-12)17(5)11-10-14(16)15(2,3)4/h12-14H,6-11,16H2,1-5H3
InChIKeyBEGLTYDSIHXEJN-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine?
The IUPAC name of 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine (CID 62623904) is 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine is CC1CCC(N(C)CCC(N)C(C)(C)C)CC1.
What is the InChIKey of 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine?
The InChIKey is BEGLTYDSIHXEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-6-8-13(9-7-12)17(5)11-10-14(16)15(2,3)4/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine?
1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine is sourced from PubChem (CID 62623904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).