N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine

C17H23N3 — CID 78821034

IUPACN-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(-n2ccnc2)cc1)CC1CC1
InChIInChI=1S/C17H23N3/c1-2-10-19(12-15-3-4-15)13-16-5-7-17(8-6-16)20-11-9-18-14-20/h5-9,11,14-15H,2-4,10,12-13H2,1H3
InChIKeyASGHHQXMGJXAKP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.49
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 78821034) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
PubChem CID78821034
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(-n2ccnc2)cc1)CC1CC1
InChIInChI=1S/C17H23N3/c1-2-10-19(12-15-3-4-15)13-16-5-7-17(8-6-16)20-11-9-18-14-20/h5-9,11,14-15H,2-4,10,12-13H2,1H3
InChIKeyASGHHQXMGJXAKP-UHFFFAOYSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine (CID 78821034) is N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine is CCCN(Cc1ccc(-n2ccnc2)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is ASGHHQXMGJXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-10-19(12-15-3-4-15)13-16-5-7-17(8-6-16)20-11-9-18-14-20/h5-9,11,14-15H,2-4,10,12-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 78821034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).