N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine

C18H25N3 — CID 63109245

IUPACN-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1
InChIInChI=1S/C18H25N3/c1-2-12-19-13-16-14-20-17(21-16)18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13H2,1H3,(H,20,21)
InChIKeyNEGZWADBBUXMTI-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.77
Rot. Bonds6

About N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine

N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 63109245) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID63109245
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1
InChIInChI=1S/C18H25N3/c1-2-12-19-13-16-14-20-17(21-16)18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13H2,1H3,(H,20,21)
InChIKeyNEGZWADBBUXMTI-UHFFFAOYSA-N
XLogP3.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 63109245) is N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1.
What is the InChIKey of N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is NEGZWADBBUXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-12-19-13-16-14-20-17(21-16)18(10-6-7-11-18)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13H2,1H3,(H,20,21).
What are the key properties of N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).