3-(dimethylamino)-N-hexylazetidine-1-carboxamide

C12H25N3O — CID 23139963

IUPAC3-(dimethylamino)-N-hexylazetidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CC(N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-6-7-8-13-12(16)15-9-11(10-15)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyTWOLPLUTFDECKH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds6

About 3-(dimethylamino)-N-hexylazetidine-1-carboxamide

3-(dimethylamino)-N-hexylazetidine-1-carboxamide (PubChem CID 23139963) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-hexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-hexylazetidine-1-carboxamide
PubChem CID23139963
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(dimethylamino)-N-hexylazetidine-1-carboxamide
SMILESCCCCCCNC(=O)N1CC(N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-6-7-8-13-12(16)15-9-11(10-15)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyTWOLPLUTFDECKH-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
3-Cyclododecyl-1,1-dimethylurea
CID 2784599
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]urea
CID 876098
3-amino-N-methylazetidine-1-carboxamide
CID 81908858
N-Hexyl-N'-propan-2-ylurea
CID 23264656
3-amino-N,N-dimethylazetidine-1-carboxamide
CID 79154312
3-amino-N-methylazetidine-1-carboxamide hydrochloride
CID 137966080
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
3-Hexyl-1,1-dimethylurea
CID 19915615
2-(3-Cyclohexylureido)-ethyltrimethylammonium bromide
CID 13379061
3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
CID 90680029

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-hexylazetidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-hexylazetidine-1-carboxamide (CID 23139963) is 3-(dimethylamino)-N-hexylazetidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-hexylazetidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-hexylazetidine-1-carboxamide is CCCCCCNC(=O)N1CC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-N-hexylazetidine-1-carboxamide?
The InChIKey is TWOLPLUTFDECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-6-7-8-13-12(16)15-9-11(10-15)14(2)3/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 3-(dimethylamino)-N-hexylazetidine-1-carboxamide?
3-(dimethylamino)-N-hexylazetidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-hexylazetidine-1-carboxamide is sourced from PubChem (CID 23139963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).