N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine

C12H26N2 — CID 60857491

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1CCN(CC)C1
InChIInChI=1S/C12H26N2/c1-4-6-11(3)13-9-12-7-8-14(5-2)10-12/h11-13H,4-10H2,1-3H3
InChIKeyHISKCEKMFDWWPD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine (PubChem CID 60857491) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
PubChem CID60857491
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1CCN(CC)C1
InChIInChI=1S/C12H26N2/c1-4-6-11(3)13-9-12-7-8-14(5-2)10-12/h11-13H,4-10H2,1-3H3
InChIKeyHISKCEKMFDWWPD-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine (CID 60857491) is N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine is CCCC(C)NCC1CCN(CC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine?
The InChIKey is HISKCEKMFDWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-11(3)13-9-12-7-8-14(5-2)10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 60857491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).