N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine

C16H34N2 — CID 113419069

IUPACN-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
SMILESCCCC1CCN(C(C)CCCNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-6-8-15-10-12-18(13-15)14(2)9-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyDXOZHHCGBRCMRZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine

N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine (PubChem CID 113419069) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
PubChem CID113419069
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
SMILESCCCC1CCN(C(C)CCCNC(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-6-8-15-10-12-18(13-15)14(2)9-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyDXOZHHCGBRCMRZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-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-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine (CID 113419069) is N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine is CCCC1CCN(C(C)CCCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine?
The InChIKey is DXOZHHCGBRCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-15-10-12-18(13-15)14(2)9-7-11-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine?
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 113419069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).