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

C14H31N3O — CID 62010606

IUPAC2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C)C(C)C)C(CC)(CC)CN
InChIInChI=1S/C14H31N3O/c1-7-14(8-2,11-15)17(9-3)10-13(18)16(6)12(4)5/h12H,7-11,15H2,1-6H3
InChIKeyYMLPLNSPIXUXIT-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.69
Rot. Bonds8

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

2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 62010606) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID62010606
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C)C(C)C)C(CC)(CC)CN
InChIInChI=1S/C14H31N3O/c1-7-14(8-2,11-15)17(9-3)10-13(18)16(6)12(4)5/h12H,7-11,15H2,1-6H3
InChIKeyYMLPLNSPIXUXIT-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 86911516
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010543
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330
1-[3-(aminomethyl)pentan-3-yl-methylamino]propan-2-ol
CID 65277906
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide (CID 62010606) is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide is CCN(CC(=O)N(C)C(C)C)C(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is YMLPLNSPIXUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-14(8-2,11-15)17(9-3)10-13(18)16(6)12(4)5/h12H,7-11,15H2,1-6H3.
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide?
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 257.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 62010606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).