N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide

C13H25N3O — CID 79152117

IUPACN-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
SMILESO=C(NCCCNC1CC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c17-13(16-10-3-1-2-4-11-16)15-9-5-8-14-12-6-7-12/h12,14H,1-11H2,(H,15,17)
InChIKeyYKGABSGLLRVNTE-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds5

About N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide

N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide (PubChem CID 79152117) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
PubChem CID79152117
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
SMILESO=C(NCCCNC1CC1)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c17-13(16-10-3-1-2-4-11-16)15-9-5-8-14-12-6-7-12/h12,14H,1-11H2,(H,15,17)
InChIKeyYKGABSGLLRVNTE-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
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-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
N-[3-(cyclopropylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116656665
N-[4-(dithiolan-3-yl)butyl]piperidine-1-carboxamide
CID 18358051
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide (CID 79152117) is N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide is O=C(NCCCNC1CC1)N1CCCCCC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide?
The InChIKey is YKGABSGLLRVNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13(16-10-3-1-2-4-11-16)15-9-5-8-14-12-6-7-12/h12,14H,1-11H2,(H,15,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide?
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide is sourced from PubChem (CID 79152117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).