1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

C13H27Cl2N3O — CID 119831195

IUPAC1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCN2CCCCCC2)CC1
InChIInChI=1S/C13H25N3O.2ClH/c14-13(6-7-13)12(17)15-8-5-11-16-9-3-1-2-4-10-16;;/h1-11,14H2,(H,15,17);2*1H
InChIKeyWJGGKGNGAMFPET-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.70
Rot. Bonds5

About 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119831195) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119831195
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCN2CCCCCC2)CC1
InChIInChI=1S/C13H25N3O.2ClH/c14-13(6-7-13)12(17)15-8-5-11-16-9-3-1-2-4-10-16;;/h1-11,14H2,(H,15,17);2*1H
InChIKeyWJGGKGNGAMFPET-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
2-(1-aminocyclopentyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 64685760
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119831195) is 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCCCN2CCCCCC2)CC1.
What is the InChIKey of 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is WJGGKGNGAMFPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c14-13(6-7-13)12(17)15-8-5-11-16-9-3-1-2-4-10-16;;/h1-11,14H2,(H,15,17);2*1H.
What are the key properties of 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).