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

C13H20N2 — CID 79979365

IUPACN'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C13H20N2/c14-7-2-8-15-10-11-3-1-4-13(9-11)12-5-6-12/h1,3-4,9,12,15H,2,5-8,10,14H2
InChIKeyRBCRHCORHNKYGS-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds6

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

N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine (PubChem CID 79979365) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
PubChem CID79979365
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C13H20N2/c14-7-2-8-15-10-11-3-1-4-13(9-11)12-5-6-12/h1,3-4,9,12,15H,2,5-8,10,14H2
InChIKeyRBCRHCORHNKYGS-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'}

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Related Compounds

N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N'-[3-[(3-aminophenyl)methylamino]propyl]-N-(3-aminopropyl)butane-1,4-diamine
CID 167063378
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine (CID 79979365) is N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine is NCCCNCc1cccc(C2CC2)c1.
What is the InChIKey of N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine?
The InChIKey is RBCRHCORHNKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-7-2-8-15-10-11-3-1-4-13(9-11)12-5-6-12/h1,3-4,9,12,15H,2,5-8,10,14H2.
What are the key properties of N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine?
N'-[(3-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'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79979365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).