N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide

C12H26N2O — CID 115905349

IUPACN-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
SMILESCCCC(CC)NCCNC(=O)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-7-11(6-2)13-8-9-14-12(15)10(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyFOOGEJGNFVQYRW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds8

About N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide

N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide (PubChem CID 115905349) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
PubChem CID115905349
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
SMILESCCCC(CC)NCCNC(=O)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-7-11(6-2)13-8-9-14-12(15)10(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyFOOGEJGNFVQYRW-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-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
CID 123348452
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N-[2-(octan-4-ylamino)ethyl]acetamide
CID 102673471
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
ethyl N-[2-(heptan-3-ylamino)ethyl]carbamate
CID 115889515
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
N-hexan-3-ylhexan-1-amine
CID 62117591
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide (CID 115905349) is N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide is CCCC(CC)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide?
The InChIKey is FOOGEJGNFVQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-7-11(6-2)13-8-9-14-12(15)10(3)4/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide?
N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide 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 N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 115905349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).