3-(tert-butylamino)-N-(4-methylpentyl)propanamide

C13H28N2O — CID 61044511

IUPAC3-(tert-butylamino)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-9-14-12(16)8-10-15-13(3,4)5/h11,15H,6-10H2,1-5H3,(H,14,16)
InChIKeyNVSHOGYCCHSTSF-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds7

About 3-(tert-butylamino)-N-(4-methylpentyl)propanamide

3-(tert-butylamino)-N-(4-methylpentyl)propanamide (PubChem CID 61044511) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(4-methylpentyl)propanamide
PubChem CID61044511
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(tert-butylamino)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-9-14-12(16)8-10-15-13(3,4)5/h11,15H,6-10H2,1-5H3,(H,14,16)
InChIKeyNVSHOGYCCHSTSF-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
(2R)-4,4-dimethyl-2-[3-(4-methylpentylamino)-3-oxopropyl]pentanoic acid
CID 167701005
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
N-(4-methylpentyl)propanamide
CID 54140551
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
(2S)-6-[3-(tert-butylamino)propanoylamino]-2-[3-[[(2S)-2-(methylamino)propanoyl]amino]propanoylamino]hexanoic acid
CID 146580229
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(4-methylpentyl)propanamide (CID 61044511) is 3-(tert-butylamino)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(4-methylpentyl)propanamide is CC(C)CCCNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(4-methylpentyl)propanamide?
The InChIKey is NVSHOGYCCHSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)7-6-9-14-12(16)8-10-15-13(3,4)5/h11,15H,6-10H2,1-5H3,(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-(4-methylpentyl)propanamide?
3-(tert-butylamino)-N-(4-methylpentyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 61044511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).