N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine

C13H20N2 — CID 79979438

IUPACN'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1ccccc1C1CC1
InChIInChI=1S/C13H20N2/c14-8-3-9-15-10-12-4-1-2-5-13(12)11-6-7-11/h1-2,4-5,11,15H,3,6-10,14H2
InChIKeyHEOVJWORIIKNFY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds6

About N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine

N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine (PubChem CID 79979438) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
PubChem CID79979438
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1ccccc1C1CC1
InChIInChI=1S/C13H20N2/c14-8-3-9-15-10-12-4-1-2-5-13(12)11-6-7-11/h1-2,4-5,11,15H,3,6-10,14H2
InChIKeyHEOVJWORIIKNFY-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine 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

5-[(2-cyclopropylphenyl)methylamino]pentanamide
CID 106234312
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491475
N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 79889051
N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
CID 103739279
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79889119
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-[(2-cyclopropylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79883823
N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 79889626
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
CID 117335183
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine (CID 79979438) is N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine is NCCCNCc1ccccc1C1CC1.
What is the InChIKey of N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine?
The InChIKey is HEOVJWORIIKNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-8-3-9-15-10-12-4-1-2-5-13(12)11-6-7-11/h1-2,4-5,11,15H,3,6-10,14H2.
What are the key properties of N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine?
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79979438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).