2-(butylamino)-N-(3-methylbutyl)propanamide

C12H26N2O — CID 43112967

IUPAC2-(butylamino)-N-(3-methylbutyl)propanamide
SMILESCCCCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-8-13-11(4)12(15)14-9-7-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyUGUZZMUWGFBJCA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds8

About 2-(butylamino)-N-(3-methylbutyl)propanamide

2-(butylamino)-N-(3-methylbutyl)propanamide (PubChem CID 43112967) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(butylamino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(butylamino)-N-(3-methylbutyl)propanamide
PubChem CID43112967
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(butylamino)-N-(3-methylbutyl)propanamide
SMILESCCCCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-8-13-11(4)12(15)14-9-7-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyUGUZZMUWGFBJCA-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
6-[[1-(butylamino)-1-oxopropan-2-yl]amino]-4-methylhexanoic acid
CID 65287702

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(butylamino)-N-(3-methylbutyl)propanamide (CID 43112967) is 2-(butylamino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(butylamino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(butylamino)-N-(3-methylbutyl)propanamide is CCCCNC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(butylamino)-N-(3-methylbutyl)propanamide?
The InChIKey is UGUZZMUWGFBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-8-13-11(4)12(15)14-9-7-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(butylamino)-N-(3-methylbutyl)propanamide?
2-(butylamino)-N-(3-methylbutyl)propanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).