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

C12H21N3 — CID 114998469

IUPACN-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-2-7-13-9-12-14-8-11(15-12)10-5-3-4-6-10/h8,10,13H,2-7,9H2,1H3,(H,14,15)
InChIKeyFTIOIRDUYRSMNQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.57
Rot. Bonds5

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

N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 114998469) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID114998469
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-2-7-13-9-12-14-8-11(15-12)10-5-3-4-6-10/h8,10,13H,2-7,9H2,1H3,(H,14,15)
InChIKeyFTIOIRDUYRSMNQ-UHFFFAOYSA-N
XLogP2.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.57
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-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine
CID 114997045
5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
CID 123292671
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
methyl 3-(5-cyclohexyl-1H-imidazol-2-yl)propanoate
CID 116880459
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
5-cyclohexyl-2-methoxy-1H-imidazole
CID 116883780
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
CID 116880941
N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 123743795

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine (CID 114998469) is N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine is CCCNCc1ncc(C2CCCC2)[nH]1.
What is the InChIKey of N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is FTIOIRDUYRSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-7-13-9-12-14-8-11(15-12)10-5-3-4-6-10/h8,10,13H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine?
N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).