2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide

C16H34N2O — CID 79483073

IUPAC2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CC(C)C)C(=O)C(CC)(CC)CN
InChIInChI=1S/C16H34N2O/c1-7-14(8-2)18(11-13(5)6)15(19)16(9-3,10-4)12-17/h13-14H,7-12,17H2,1-6H3
InChIKeyVVPLUHOIQLGGAE-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.42
Rot. Bonds9

About 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide

2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide (PubChem CID 79483073) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
PubChem CID79483073
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CC(C)C)C(=O)C(CC)(CC)CN
InChIInChI=1S/C16H34N2O/c1-7-14(8-2)18(11-13(5)6)15(19)16(9-3,10-4)12-17/h13-14H,7-12,17H2,1-6H3
InChIKeyVVPLUHOIQLGGAE-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide (CID 79483073) is 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide is CCC(CC)N(CC(C)C)C(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The InChIKey is VVPLUHOIQLGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-14(8-2)18(11-13(5)6)15(19)16(9-3,10-4)12-17/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide has a molecular weight of 270.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 79483073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).