5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide

C15H31NO — CID 135274634

IUPAC5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide
SMILESCC(C)CCC(CCC(C)C)C(=O)NC(C)C
InChIInChI=1S/C15H31NO/c1-11(2)7-9-14(10-8-12(3)4)15(17)16-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyBBBXADTUTOYTSR-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.00
Rot. Bonds8

About 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide

5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide (PubChem CID 135274634) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide
PubChem CID135274634
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide
SMILESCC(C)CCC(CCC(C)C)C(=O)NC(C)C
InChIInChI=1S/C15H31NO/c1-11(2)7-9-14(10-8-12(3)4)15(17)16-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyBBBXADTUTOYTSR-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-methyl-N-propan-2-ylpentanamide
CID 4628268
N-(4-methylpentan-2-yl)-2-propylpentanamide
CID 173327827
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
3-(dimethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 18678958
2-(2-aminoethyl)-N-[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-methylhexanamide
CID 134219365
2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
CID 154824820
3-[[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-methylheptanoic acid
CID 142065965
2-methyl-N-propan-2-ylhexanamide
CID 19752015
N-butan-2-yl-2-propylpentanamide
CID 115532227
N,2,5-trimethylhexanamide
CID 78065622

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide?
The IUPAC name of 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide (CID 135274634) is 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide.
What is the SMILES notation for 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide?
The canonical SMILES for 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide is CC(C)CCC(CCC(C)C)C(=O)NC(C)C.
What is the InChIKey of 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide?
The InChIKey is BBBXADTUTOYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)7-9-14(10-8-12(3)4)15(17)16-13(5)6/h11-14H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide?
5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide has a molecular weight of 241.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 135274634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).