2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide

C15H31N3O — CID 114763113

IUPAC2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCCN(CC(N)=O)C1CCC(NCCC)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-11-18(12-15(16)19)14-8-6-13(7-9-14)17-10-4-2/h13-14,17H,3-12H2,1-2H3,(H2,16,19)
InChIKeyLBQNQZMSLVYUKW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds9

About 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide

2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide (PubChem CID 114763113) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
PubChem CID114763113
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide
SMILESCCCCN(CC(N)=O)C1CCC(NCCC)CC1
InChIInChI=1S/C15H31N3O/c1-3-5-11-18(12-15(16)19)14-8-6-13(7-9-14)17-10-4-2/h13-14,17H,3-12H2,1-2H3,(H2,16,19)
InChIKeyLBQNQZMSLVYUKW-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
2-[(3-aminocyclopentyl)-butylamino]acetamide
CID 79468490
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
2-[butyl-(5,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 82014927

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The IUPAC name of 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide (CID 114763113) is 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide is CCCCN(CC(N)=O)C1CCC(NCCC)CC1.
What is the InChIKey of 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide?
The InChIKey is LBQNQZMSLVYUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-5-11-18(12-15(16)19)14-8-6-13(7-9-14)17-10-4-2/h13-14,17H,3-12H2,1-2H3,(H2,16,19).
What are the key properties of 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide?
2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-(propylamino)cyclohexyl]amino]acetamide is sourced from PubChem (CID 114763113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).