2-(methylamino)-N-(5-methylhexyl)butanediamide

C12H25N3O2 — CID 146635024

IUPAC2-(methylamino)-N-(5-methylhexyl)butanediamide
SMILESCNC(CC(N)=O)C(=O)NCCCCC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-4-5-7-15-12(17)10(14-3)8-11(13)16/h9-10,14H,4-8H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyLSYZMCGFUDWXIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds9

About 2-(methylamino)-N-(5-methylhexyl)butanediamide

2-(methylamino)-N-(5-methylhexyl)butanediamide (PubChem CID 146635024) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-methylhexyl)butanediamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-methylhexyl)butanediamide
PubChem CID146635024
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(methylamino)-N-(5-methylhexyl)butanediamide
SMILESCNC(CC(N)=O)C(=O)NCCCCC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-4-5-7-15-12(17)10(14-3)8-11(13)16/h9-10,14H,4-8H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyLSYZMCGFUDWXIP-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl 3-(methylamino)-4-(5-methylhexylamino)-4-oxobutanoate
CID 146644733
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5-methylhexyl)butanamide
CID 113287774
2-(5-methylhexylamino)acetamide
CID 115325450
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-methylhexyl)butanediamide?
The IUPAC name of 2-(methylamino)-N-(5-methylhexyl)butanediamide (CID 146635024) is 2-(methylamino)-N-(5-methylhexyl)butanediamide.
What is the SMILES notation for 2-(methylamino)-N-(5-methylhexyl)butanediamide?
The canonical SMILES for 2-(methylamino)-N-(5-methylhexyl)butanediamide is CNC(CC(N)=O)C(=O)NCCCCC(C)C.
What is the InChIKey of 2-(methylamino)-N-(5-methylhexyl)butanediamide?
The InChIKey is LSYZMCGFUDWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)6-4-5-7-15-12(17)10(14-3)8-11(13)16/h9-10,14H,4-8H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of 2-(methylamino)-N-(5-methylhexyl)butanediamide?
2-(methylamino)-N-(5-methylhexyl)butanediamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-methylhexyl)butanediamide is sourced from PubChem (CID 146635024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).