3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine

C11H24N2 — CID 165456467

IUPAC3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCCC(CN)C1
InChIInChI=1S/C11H24N2/c1-3-7-13(2)11-6-4-5-10(8-11)9-12/h10-11H,3-9,12H2,1-2H3
InChIKeyFORKBFDUKLFIBB-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine

3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine (PubChem CID 165456467) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine
PubChem CID165456467
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCCC(CN)C1
InChIInChI=1S/C11H24N2/c1-3-7-13(2)11-6-4-5-10(8-11)9-12/h10-11H,3-9,12H2,1-2H3
InChIKeyFORKBFDUKLFIBB-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine (CID 165456467) is 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine is CCCN(C)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine?
The InChIKey is FORKBFDUKLFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-7-13(2)11-6-4-5-10(8-11)9-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine?
3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 165456467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).