1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine

C16H34N2 — CID 107818366

IUPAC1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CCCCCCN1CCC(NC(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-16(13-18)17-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyPFNIQPQZQZCMNT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine

1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 107818366) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine
PubChem CID107818366
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CCCCCCN1CCC(NC(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-16(13-18)17-15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyPFNIQPQZQZCMNT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-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

2-(3-Methylbutyl)pyrrolidine
CID 21061949
2-[2-(Propan-2-yl)pyrrolidin-1-yl]ethan-1-amine
CID 65713052
1-Pentadecan-8-yl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 156058706
1-[[(2R,3R,4R)-4-fluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 156566569
1-[[(2R,3R,5S)-1-tert-butyl-3-fluoro-5-propan-2-ylpyrrolidin-2-yl]methyl]piperazine
CID 174037754
[(2R,3R,5S)-3-fluoro-1,5-di(propan-2-yl)pyrrolidin-2-yl]methanamine
CID 174037755
N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine
CID 11589009
5-Propyl-3-(diethylamino-methyl)-pyrrolidine
CID 12522073
5-propyl-3-(N,N-dimethylamino-methyl)pyrrolidine
CID 13863193
15-Hexadecyl-1,4,7,10,13-pentaazacyclohexadecane
CID 14178837
2-Methyl-3-hexadecyl-pyrrolidine
CID 54209910
(2S,5S)-2-methyl-5-(2-methylpropyl)pyrrolidine
CID 134849029

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine (CID 107818366) is 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine is CC(C)CCCCCCN1CCC(NC(C)C)C1.
What is the InChIKey of 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is PFNIQPQZQZCMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-16(13-18)17-15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine?
1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 107818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).