1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine

C14H29N3 — CID 63166414

IUPAC1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2CCCCCC2CN)C1
InChIInChI=1S/C14H29N3/c1-16(2)13-8-9-17(11-13)14-7-5-3-4-6-12(14)10-15/h12-14H,3-11,15H2,1-2H3
InChIKeyYEOAFZGFRUFQOL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166414) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166414
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2CCCCCC2CN)C1
InChIInChI=1S/C14H29N3/c1-16(2)13-8-9-17(11-13)14-7-5-3-4-6-12(14)10-15/h12-14H,3-11,15H2,1-2H3
InChIKeyYEOAFZGFRUFQOL-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166414) is 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2CCCCCC2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is YEOAFZGFRUFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)13-8-9-17(11-13)14-7-5-3-4-6-12(14)10-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).