4-N-methyl-4-N-propylcyclohexane-1,4-diamine

C10H22N2 — CID 59255643

IUPAC4-N-methyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C)C1CCC(N)CC1
InChIInChI=1S/C10H22N2/c1-3-8-12(2)10-6-4-9(11)5-7-10/h9-10H,3-8,11H2,1-2H3
InChIKeyAAXZDTWEJZGVDA-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds3

About 4-N-methyl-4-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-propylcyclohexane-1,4-diamine (PubChem CID 59255643) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propylcyclohexane-1,4-diamine
PubChem CID59255643
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-N-methyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C)C1CCC(N)CC1
InChIInChI=1S/C10H22N2/c1-3-8-12(2)10-6-4-9(11)5-7-10/h9-10H,3-8,11H2,1-2H3
InChIKeyAAXZDTWEJZGVDA-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-propylcyclohexane-1,4-diamine (CID 59255643) is 4-N-methyl-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-propylcyclohexane-1,4-diamine is CCCN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is AAXZDTWEJZGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-8-12(2)10-6-4-9(11)5-7-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 59255643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).