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

C17H23N3 — CID 79979594

IUPACN-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
SMILESc1cn(CCCCNCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C17H23N3/c1(2-11-20-12-10-19-14-20)9-18-13-15-3-5-16(6-4-15)17-7-8-17/h3-6,10,12,14,17-18H,1-2,7-9,11,13H2
InChIKeyXYUDQNSSBNDBLM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.33
Rot. Bonds8

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

N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine (PubChem CID 79979594) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
PubChem CID79979594
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
SMILESc1cn(CCCCNCc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C17H23N3/c1(2-11-20-12-10-19-14-20)9-18-13-15-3-5-16(6-4-15)17-7-8-17/h3-6,10,12,14,17-18H,1-2,7-9,11,13H2
InChIKeyXYUDQNSSBNDBLM-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.33
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]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
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
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
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
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine (CID 79979594) is N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine is c1cn(CCCCNCc2ccc(C3CC3)cc2)cn1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine?
The InChIKey is XYUDQNSSBNDBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1(2-11-20-12-10-19-14-20)9-18-13-15-3-5-16(6-4-15)17-7-8-17/h3-6,10,12,14,17-18H,1-2,7-9,11,13H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine is sourced from PubChem (CID 79979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).