2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide

C14H24N2O — CID 112745062

IUPAC2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
SMILESO=C(NCCCNC1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C14H24N2O/c17-14(13(10-2-3-10)11-4-5-11)16-9-1-8-15-12-6-7-12/h10-13,15H,1-9H2,(H,16,17)
InChIKeyAPUKVHVIXKWFKB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds8

About 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide

2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide (PubChem CID 112745062) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
PubChem CID112745062
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
SMILESO=C(NCCCNC1CC1)C(C1CC1)C1CC1
InChIInChI=1S/C14H24N2O/c17-14(13(10-2-3-10)11-4-5-11)16-9-1-8-15-12-6-7-12/h10-13,15H,1-9H2,(H,16,17)
InChIKeyAPUKVHVIXKWFKB-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
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-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465
N-[3-(cyclopropylamino)propyl]-2-propylpentanamide
CID 82987984
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
N-[3-(cyclopropylamino)propyl]-3-methylbut-2-enamide
CID 43596541
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
(2S)-2-[3-(cyclopropylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 61408013
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid
CID 66165921
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide?
The IUPAC name of 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide (CID 112745062) is 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide?
The canonical SMILES for 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide is O=C(NCCCNC1CC1)C(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide?
The InChIKey is APUKVHVIXKWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14(13(10-2-3-10)11-4-5-11)16-9-1-8-15-12-6-7-12/h10-13,15H,1-9H2,(H,16,17).
What are the key properties of 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide?
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide has a molecular weight of 236.36 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide is sourced from PubChem (CID 112745062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).