3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine

C14H29N3 — CID 62975279

IUPAC3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N(C)C2CCCCCC2)C1
InChIInChI=1S/C14H29N3/c1-16-10-9-14(11-15,12-16)17(2)13-7-5-3-4-6-8-13/h13H,3-12,15H2,1-2H3
InChIKeyCJXAQMHHVJBQFL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds3

About 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine (PubChem CID 62975279) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
PubChem CID62975279
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(CN)(N(C)C2CCCCCC2)C1
InChIInChI=1S/C14H29N3/c1-16-10-9-14(11-15,12-16)17(2)13-7-5-3-4-6-8-13/h13H,3-12,15H2,1-2H3
InChIKeyCJXAQMHHVJBQFL-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylpyrrolidin-3-amine
CID 62977308
N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
CID 62976020
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine (CID 62975279) is 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine is CN1CCC(CN)(N(C)C2CCCCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is CJXAQMHHVJBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-10-9-14(11-15,12-16)17(2)13-7-5-3-4-6-8-13/h13H,3-12,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 62975279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).