N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine

C16H32N2 — CID 55083195

IUPACN-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-14(2)17-12-15-10-11-18(13-15)16-8-6-4-3-5-7-9-16/h14-17H,3-13H2,1-2H3
InChIKeyOCXBLKMSBOEJCS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine

N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 55083195) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID55083195
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C2CCCCCCC2)C1
InChIInChI=1S/C16H32N2/c1-14(2)17-12-15-10-11-18(13-15)16-8-6-4-3-5-7-9-16/h14-17H,3-13H2,1-2H3
InChIKeyOCXBLKMSBOEJCS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-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

Related Compounds

N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
N-[(1-cyclopentylpiperidin-4-yl)methyl]propan-2-amine
CID 63847367
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
CID 104973669
N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511985
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine (CID 55083195) is N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine is CC(C)NCC1CCN(C2CCCCCCC2)C1.
What is the InChIKey of N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is OCXBLKMSBOEJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)17-12-15-10-11-18(13-15)16-8-6-4-3-5-7-9-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine?
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 55083195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).