N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine

C16H30N2 — CID 54920980

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-3-5-15(6-4-13)17-11-14-9-10-18(12-14)16-7-8-16/h13-17H,2-12H2,1H3
InChIKeyRQUSTAINXZAZCI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 54920980) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID54920980
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-3-5-15(6-4-13)17-11-14-9-10-18(12-14)16-7-8-16/h13-17H,2-12H2,1H3
InChIKeyRQUSTAINXZAZCI-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-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-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine (CID 54920980) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCC2CCN(C3CC3)C2)CC1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is RQUSTAINXZAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-3-5-15(6-4-13)17-11-14-9-10-18(12-14)16-7-8-16/h13-17H,2-12H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 54920980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).