1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine

C10H20N2 — CID 79467646

IUPAC1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine
SMILESCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C10H20N2/c1-12(9-5-6-9)10-4-2-3-8(11)7-10/h8-10H,2-7,11H2,1H3
InChIKeyBEMMPNALWHDCNC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.35
Rot. Bonds2

About 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine

1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79467646) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine
PubChem CID79467646
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine
SMILESCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C10H20N2/c1-12(9-5-6-9)10-4-2-3-8(11)7-10/h8-10H,2-7,11H2,1H3
InChIKeyBEMMPNALWHDCNC-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine (CID 79467646) is 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine is CN(C1CC1)C1CCCC(N)C1.
What is the InChIKey of 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is BEMMPNALWHDCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12(9-5-6-9)10-4-2-3-8(11)7-10/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine?
1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79467646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).