N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C16H21N3 — CID 79978907

IUPACN-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C16H21N3/c1(10-19-11-9-18-13-19)8-17-12-14-2-4-15(5-3-14)16-6-7-16/h2-5,9,11,13,16-17H,1,6-8,10,12H2
InChIKeyCEEXRNNJEKEFMG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.94
Rot. Bonds7

About N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 79978907) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID79978907
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1cn(CCCNCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C16H21N3/c1(10-19-11-9-18-13-19)8-17-12-14-2-4-15(5-3-14)16-6-7-16/h2-5,9,11,13,16-17H,1,6-8,10,12H2
InChIKeyCEEXRNNJEKEFMG-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 79978907) is N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is c1cn(CCCNCc2ccc(C3CC3)cc2)cn1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is CEEXRNNJEKEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1(10-19-11-9-18-13-19)8-17-12-14-2-4-15(5-3-14)16-6-7-16/h2-5,9,11,13,16-17H,1,6-8,10,12H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 79978907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).