1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine

C14H30N2 — CID 106799546

IUPAC1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
SMILESCCC(N)CCCN(C)C1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-4-13(15)8-6-10-16(3)14-9-5-7-12(2)11-14/h12-14H,4-11,15H2,1-3H3
InChIKeyZAEGVLAVHPPNCH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds6

About 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine

1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine (PubChem CID 106799546) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
PubChem CID106799546
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
SMILESCCC(N)CCCN(C)C1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-4-13(15)8-6-10-16(3)14-9-5-7-12(2)11-14/h12-14H,4-11,15H2,1-3H3
InChIKeyZAEGVLAVHPPNCH-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine (CID 106799546) is 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine is CCC(N)CCCN(C)C1CCCC(C)C1.
What is the InChIKey of 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine?
The InChIKey is ZAEGVLAVHPPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13(15)8-6-10-16(3)14-9-5-7-12(2)11-14/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine?
1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine is sourced from PubChem (CID 106799546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).