1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride

C14H26Cl2N4O — CID 119892474

IUPAC1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nccn1CCCCNC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-12-16-9-11-18(12)10-5-4-8-17-13(19)14(15)6-2-3-7-14;;/h9,11H,2-8,10,15H2,1H3,(H,17,19);2*1H
InChIKeyOWVZSTHFRUYDMD-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.20
Rot. Bonds6

About 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119892474) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119892474
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nccn1CCCCNC(=O)C1(N)CCCC1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-12-16-9-11-18(12)10-5-4-8-17-13(19)14(15)6-2-3-7-14;;/h9,11H,2-8,10,15H2,1H3,(H,17,19);2*1H
InChIKeyOWVZSTHFRUYDMD-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-[4-(2-methylimidazol-1-yl)butyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97074746
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 71868078
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
1-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119891215
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119892474) is 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride is Cc1nccn1CCCCNC(=O)C1(N)CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is OWVZSTHFRUYDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-12-16-9-11-18(12)10-5-4-8-17-13(19)14(15)6-2-3-7-14;;/h9,11H,2-8,10,15H2,1H3,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119892474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).