N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide

C16H34N2O — CID 55241774

IUPACN-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide
SMILESCCC(CC)N(CCN)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-14(8-2)18(10-9-17)15(19)11-13(3)12-16(4,5)6/h13-14H,7-12,17H2,1-6H3
InChIKeyGTSZALUJESQDBU-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.42
Rot. Bonds8

About N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide

N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide (PubChem CID 55241774) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide
PubChem CID55241774
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide
SMILESCCC(CC)N(CCN)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-7-14(8-2)18(10-9-17)15(19)11-13(3)12-16(4,5)6/h13-14H,7-12,17H2,1-6H3
InChIKeyGTSZALUJESQDBU-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
CID 63834573
N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
CID 63754749
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
CID 106441524
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
N-(2-aminoethyl)-2-cyclopentyl-N-pentan-3-ylacetamide
CID 63755102
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
CID 62625837
N-butan-2-yl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42699071
CID 5484103
CID 5484103
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
2-(3,5,5-trimethylhexanoyloxy)ethyl 3,5,5-trimethylhexanoate
CID 91728705

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide?
The IUPAC name of N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide (CID 55241774) is N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide?
The canonical SMILES for N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide is CCC(CC)N(CCN)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide?
The InChIKey is GTSZALUJESQDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-14(8-2)18(10-9-17)15(19)11-13(3)12-16(4,5)6/h13-14H,7-12,17H2,1-6H3.
What are the key properties of N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide?
N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide has a molecular weight of 270.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide is sourced from PubChem (CID 55241774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).