4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide

C13H27N3O — CID 63759502

IUPAC4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(CCN)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)8-5-10-16(11-9-14)12-6-3-4-7-12/h12H,3-11,14H2,1-2H3
InChIKeyUVQADALESJSITD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds7

About 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide

4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide (PubChem CID 63759502) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide
PubChem CID63759502
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(CCN)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)8-5-10-16(11-9-14)12-6-3-4-7-12/h12H,3-11,14H2,1-2H3
InChIKeyUVQADALESJSITD-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-aminopropyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 60960646
4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
CID 63893076
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
6-[2-aminoethyl(cyclobutyl)amino]hexan-1-ol
CID 107707010
6-amino-N-cyclopentyl-N-methylhexanamide
CID 43267226
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102639944
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
N'-cyclopentyl-N'-(2-ethylsulfonylethyl)ethane-1,2-diamine
CID 63761677
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide (CID 63759502) is 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN(CCN)C1CCCC1.
What is the InChIKey of 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide?
The InChIKey is UVQADALESJSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)13(17)8-5-10-16(11-9-14)12-6-3-4-7-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide?
4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 63759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).