2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide

C13H27N3O — CID 55241234

IUPAC2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
SMILESCCCCN(CCN)CC(=O)N(CC)C1CC1
InChIInChI=1S/C13H27N3O/c1-3-5-9-15(10-8-14)11-13(17)16(4-2)12-6-7-12/h12H,3-11,14H2,1-2H3
InChIKeyUOIMPCRQVOLTPN-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds9

About 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide

2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 55241234) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
PubChem CID55241234
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
SMILESCCCCN(CCN)CC(=O)N(CC)C1CC1
InChIInChI=1S/C13H27N3O/c1-3-5-9-15(10-8-14)11-13(17)16(4-2)12-6-7-12/h12H,3-11,14H2,1-2H3
InChIKeyUOIMPCRQVOLTPN-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
CID 61488181
1-[2-aminoethyl(butyl)amino]propan-2-one
CID 134504984
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
N-cyclohexyl-N-ethyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666221
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814
2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide
CID 81187098

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide (CID 55241234) is 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide is CCCCN(CCN)CC(=O)N(CC)C1CC1.
What is the InChIKey of 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is UOIMPCRQVOLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-9-15(10-8-14)11-13(17)16(4-2)12-6-7-12/h12H,3-11,14H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide?
2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 55241234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).