4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine

C11H22N2 — CID 62806204

IUPAC4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1CC1)C1CCC(N)CC1
InChIInChI=1S/C11H22N2/c1-13(8-9-2-3-9)11-6-4-10(12)5-7-11/h9-11H,2-8,12H2,1H3
InChIKeyVFYQRMWMQCEKPU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds3

About 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 62806204) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID62806204
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1CC1)C1CCC(N)CC1
InChIInChI=1S/C11H22N2/c1-13(8-9-2-3-9)11-6-4-10(12)5-7-11/h9-11H,2-8,12H2,1H3
InChIKeyVFYQRMWMQCEKPU-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
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-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine (CID 62806204) is 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine is CN(CC1CC1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is VFYQRMWMQCEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-13(8-9-2-3-9)11-6-4-10(12)5-7-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 182.31 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-(cyclopropylmethyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 62806204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).