2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide

C15H33N3O — CID 62009596

IUPAC2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C(CC)(CC)CN
InChIInChI=1S/C15H33N3O/c1-6-10-13(5)17-14(19)11-18(9-4)15(7-2,8-3)12-16/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyJACXQKRBADOHMV-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.13
Rot. Bonds10

About 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide

2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide (PubChem CID 62009596) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
PubChem CID62009596
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)C(CC)(CC)CN
InChIInChI=1S/C15H33N3O/c1-6-10-13(5)17-14(19)11-18(9-4)15(7-2,8-3)12-16/h13H,6-12,16H2,1-5H3,(H,17,19)
InChIKeyJACXQKRBADOHMV-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
CID 62007962
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
CID 62009398
2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
CID 65050698
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62010198
N'-pentan-2-ylpropanediamide
CID 88934201
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide (CID 62009596) is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(CC)C(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is JACXQKRBADOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-10-13(5)17-14(19)11-18(9-4)15(7-2,8-3)12-16/h13H,6-12,16H2,1-5H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 271.45 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 62009596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).