N-[3-(diethylamino)propyl]azepane-2-carboxamide

C14H29N3O — CID 64563964

IUPACN-[3-(diethylamino)propyl]azepane-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCCCCN1
InChIInChI=1S/C14H29N3O/c1-3-17(4-2)12-8-11-16-14(18)13-9-6-5-7-10-15-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyPIXDRUBMGQMNMI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds7

About N-[3-(diethylamino)propyl]azepane-2-carboxamide

N-[3-(diethylamino)propyl]azepane-2-carboxamide (PubChem CID 64563964) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]azepane-2-carboxamide
PubChem CID64563964
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[3-(diethylamino)propyl]azepane-2-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCCCCN1
InChIInChI=1S/C14H29N3O/c1-3-17(4-2)12-8-11-16-14(18)13-9-6-5-7-10-15-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyPIXDRUBMGQMNMI-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
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

(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119896206
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]azepane-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]azepane-2-carboxamide (CID 64563964) is N-[3-(diethylamino)propyl]azepane-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]azepane-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]azepane-2-carboxamide is CCN(CC)CCCNC(=O)C1CCCCCN1.
What is the InChIKey of N-[3-(diethylamino)propyl]azepane-2-carboxamide?
The InChIKey is PIXDRUBMGQMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-17(4-2)12-8-11-16-14(18)13-9-6-5-7-10-15-13/h13,15H,3-12H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(diethylamino)propyl]azepane-2-carboxamide?
N-[3-(diethylamino)propyl]azepane-2-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]azepane-2-carboxamide is sourced from PubChem (CID 64563964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).