N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide

C15H32N2O — CID 63834573

IUPACN-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CCN)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-13(8-2)17(10-9-16)14(18)11-12(3)15(4,5)6/h12-13H,7-11,16H2,1-6H3
InChIKeyFDMMUDCLIMINLF-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.03
Rot. Bonds7

About N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide

N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide (PubChem CID 63834573) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
PubChem CID63834573
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CCN)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-7-13(8-2)17(10-9-16)14(18)11-12(3)15(4,5)6/h12-13H,7-11,16H2,1-6H3
InChIKeyFDMMUDCLIMINLF-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide
CID 55241774
N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
CID 63754749
N-(1-aminopropan-2-yl)-N,3,4,4-tetramethylpentanamide
CID 115737332
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
N-(2-aminoethyl)-2-cyclopentyl-N-pentan-3-ylacetamide
CID 63755102
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 63832512
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
CID 63765781
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide?
The IUPAC name of N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide (CID 63834573) is N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide is CCC(CC)N(CCN)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide?
The InChIKey is FDMMUDCLIMINLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-13(8-2)17(10-9-16)14(18)11-12(3)15(4,5)6/h12-13H,7-11,16H2,1-6H3.
What are the key properties of N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide?
N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide is sourced from PubChem (CID 63834573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).