N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine

C17H32N2 — CID 167286402

IUPACN-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CNC1CC1CCCNC1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12(2)11-19-17-10-14(17)4-3-7-18-16-9-13-5-6-15(16)8-13/h12-19H,3-11H2,1-2H3
InChIKeyYRQBBFVLEZPFNU-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.18
Rot. Bonds8

About N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine

N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 167286402) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID167286402
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CNC1CC1CCCNC1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12(2)11-19-17-10-14(17)4-3-7-18-16-9-13-5-6-15(16)8-13/h12-19H,3-11H2,1-2H3
InChIKeyYRQBBFVLEZPFNU-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-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-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine (CID 167286402) is N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine is CC(C)CNC1CC1CCCNC1CC2CCC1C2.
What is the InChIKey of N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is YRQBBFVLEZPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12(2)11-19-17-10-14(17)4-3-7-18-16-9-13-5-6-15(16)8-13/h12-19H,3-11H2,1-2H3.
What are the key properties of N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine?
N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 264.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylpropylamino)cyclopropyl]propyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 167286402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).