2-(5-methylhexylamino)-N-propan-2-ylpropanamide

C13H28N2O — CID 115325548

IUPAC2-(5-methylhexylamino)-N-propan-2-ylpropanamide
SMILESCC(C)CCCCNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)8-6-7-9-14-12(5)13(16)15-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyHCILBCOEHITDHK-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds8

About 2-(5-methylhexylamino)-N-propan-2-ylpropanamide

2-(5-methylhexylamino)-N-propan-2-ylpropanamide (PubChem CID 115325548) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(5-methylhexylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-methylhexylamino)-N-propan-2-ylpropanamide
PubChem CID115325548
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(5-methylhexylamino)-N-propan-2-ylpropanamide
SMILESCC(C)CCCCNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)8-6-7-9-14-12(5)13(16)15-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyHCILBCOEHITDHK-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
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-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
CID 113406943
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-methylhexylamino)-N-propan-2-ylpropanamide (CID 115325548) is 2-(5-methylhexylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-methylhexylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-methylhexylamino)-N-propan-2-ylpropanamide is CC(C)CCCCNC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(5-methylhexylamino)-N-propan-2-ylpropanamide?
The InChIKey is HCILBCOEHITDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)8-6-7-9-14-12(5)13(16)15-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-(5-methylhexylamino)-N-propan-2-ylpropanamide?
2-(5-methylhexylamino)-N-propan-2-ylpropanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 115325548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).