1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine

C11H22N2 — CID 59686791

IUPAC1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine
SMILESCNC1CCCC(NCC2CC2)C1
InChIInChI=1S/C11H22N2/c1-12-10-3-2-4-11(7-10)13-8-9-5-6-9/h9-13H,2-8H2,1H3
InChIKeyHXZGTMSCEQPOEI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds4

About 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine

1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine (PubChem CID 59686791) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine
PubChem CID59686791
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine
SMILESCNC1CCCC(NCC2CC2)C1
InChIInChI=1S/C11H22N2/c1-12-10-3-2-4-11(7-10)13-8-9-5-6-9/h9-13H,2-8H2,1H3
InChIKeyHXZGTMSCEQPOEI-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine (CID 59686791) is 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine is CNC1CCCC(NCC2CC2)C1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine?
The InChIKey is HXZGTMSCEQPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-10-3-2-4-11(7-10)13-8-9-5-6-9/h9-13H,2-8H2,1H3.
What are the key properties of 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine?
1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-3-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 59686791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).