3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide

C13H29N3O — CID 107143404

IUPAC3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
SMILESCCC(C)N(C)CCNC(=O)CC(N)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)9-12(14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyWSHWEQFWTSBIMI-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds8

About 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide (PubChem CID 107143404) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
PubChem CID107143404
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
SMILESCCC(C)N(C)CCNC(=O)CC(N)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)9-12(14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyWSHWEQFWTSBIMI-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
CID 107317604
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56823979
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-3-carboxamide
CID 114134099
2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119874299
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide?
The IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide (CID 107143404) is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide?
The canonical SMILES for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide is CCC(C)N(C)CCNC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide?
The InChIKey is WSHWEQFWTSBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)9-12(14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide?
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide is sourced from PubChem (CID 107143404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).