2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide

C16H34N2O — CID 63842809

IUPAC2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NC(C)C(CC)CC
InChIInChI=1S/C16H34N2O/c1-6-10-16(12-17,11-7-2)15(19)18-13(5)14(8-3)9-4/h13-14H,6-12,17H2,1-5H3,(H,18,19)
InChIKeyNISSUMHTYYNDDF-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.47
Rot. Bonds10

About 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide

2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide (PubChem CID 63842809) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide
PubChem CID63842809
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NC(C)C(CC)CC
InChIInChI=1S/C16H34N2O/c1-6-10-16(12-17,11-7-2)15(19)18-13(5)14(8-3)9-4/h13-14H,6-12,17H2,1-5H3,(H,18,19)
InChIKeyNISSUMHTYYNDDF-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721
2-carbamothioyl-2-ethyl-N-(3-ethylpentan-2-yl)butanamide
CID 63839034
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
CID 115760359
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide
CID 106235054
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551608
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide (CID 63842809) is 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NC(C)C(CC)CC.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide?
The InChIKey is NISSUMHTYYNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-10-16(12-17,11-7-2)15(19)18-13(5)14(8-3)9-4/h13-14H,6-12,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide?
2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide has a molecular weight of 270.46 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethylpentan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 63842809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).