N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine

C14H22N2 — CID 79979439

IUPACN'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
SMILESNCCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H22N2/c15-8-1-2-9-16-11-12-4-3-5-14(10-12)13-6-7-13/h3-5,10,13,16H,1-2,6-9,11,15H2
InChIKeyNHFPPFBCFCWUIZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds7

About N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine

N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine (PubChem CID 79979439) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
PubChem CID79979439
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
SMILESNCCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H22N2/c15-8-1-2-9-16-11-12-4-3-5-14(10-12)13-6-7-13/h3-5,10,13,16H,1-2,6-9,11,15H2
InChIKeyNHFPPFBCFCWUIZ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
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]propane-1,3-diamine
CID 79979365
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
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine (CID 79979439) is N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine is NCCCCNCc1cccc(C2CC2)c1.
What is the InChIKey of N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine?
The InChIKey is NHFPPFBCFCWUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-8-1-2-9-16-11-12-4-3-5-14(10-12)13-6-7-13/h3-5,10,13,16H,1-2,6-9,11,15H2.
What are the key properties of N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine?
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 79979439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).