N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C17H26N2 — CID 79979264

IUPACN-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)cc(C2CC2)c1
InChIInChI=1S/C17H26N2/c1-2-11-19(10-1)12-4-9-18-14-15-5-3-6-17(13-15)16-7-8-16/h3,5-6,13,16,18H,1-2,4,7-12,14H2
InChIKeyOALUIXDPMPOMFK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds7

About N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79979264) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID79979264
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)cc(C2CC2)c1
InChIInChI=1S/C17H26N2/c1-2-11-19(10-1)12-4-9-18-14-15-5-3-6-17(13-15)16-7-8-16/h3,5-6,13,16,18H,1-2,4,7-12,14H2
InChIKeyOALUIXDPMPOMFK-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-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

Related Compounds

N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 79979264) is N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is c1cc(CNCCCN2CCCC2)cc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is OALUIXDPMPOMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-11-19(10-1)12-4-9-18-14-15-5-3-6-17(13-15)16-7-8-16/h3,5-6,13,16,18H,1-2,4,7-12,14H2.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).