2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide

C15H33N3O — CID 63762461

IUPAC2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H33N3O/c1-6-14(7-2)18(11-9-16)13(5)15(19)17-10-8-12(3)4/h12-14H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyAVLYWVXFWJANBM-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.99
Rot. Bonds10

About 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide

2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 63762461) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
PubChem CID63762461
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H33N3O/c1-6-14(7-2)18(11-9-16)13(5)15(19)17-10-8-12(3)4/h12-14H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyAVLYWVXFWJANBM-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
CID 63761733
N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
CID 62015666
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
CID 54987708
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62025892
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide (CID 63762461) is 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide is CCC(CC)N(CCN)C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is AVLYWVXFWJANBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-14(7-2)18(11-9-16)13(5)15(19)17-10-8-12(3)4/h12-14H,6-11,16H2,1-5H3,(H,17,19).
What are the key properties of 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide?
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 271.45 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63762461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).