ethane;2-methyl-6-(propan-2-ylamino)hexanamide

C12H28N2O — CID 166138020

IUPACethane;2-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC.CC(C)NCCCCC(C)C(N)=O
InChIInChI=1S/C10H22N2O.C2H6/c1-8(2)12-7-5-4-6-9(3)10(11)13;1-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1-2H3
InChIKeyJSRKOFXNFWEWCU-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.30
Rot. Bonds7

About ethane;2-methyl-6-(propan-2-ylamino)hexanamide

ethane;2-methyl-6-(propan-2-ylamino)hexanamide (PubChem CID 166138020) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;2-methyl-6-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Nameethane;2-methyl-6-(propan-2-ylamino)hexanamide
PubChem CID166138020
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameethane;2-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC.CC(C)NCCCCC(C)C(N)=O
InChIInChI=1S/C10H22N2O.C2H6/c1-8(2)12-7-5-4-6-9(3)10(11)13;1-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1-2H3
InChIKeyJSRKOFXNFWEWCU-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.30
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-6-(propan-2-ylamino)hexanamide
CID 166138021
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
3-[[2-oxo-3-(propan-2-ylamino)propyl]amino]-7-(propan-2-ylamino)heptan-2-one
CID 157112180
(2S)-2-methyl-6-[(2-methyl-3-sulfanylpropanoyl)amino]hexanamide
CID 90324114
2-(tridecylamino)octanamide
CID 154123950
2-methylheptanamide;2-methylhexanamide
CID 160718848
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
2-methylhexanamide
CID 2828737
2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
CID 168758875
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
CID 159782051
(2R)-2-[[(1S)-1-carboxy-5-(propan-2-ylamino)pentyl]carbamoylamino]pentanedioic acid
CID 130425498

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(propan-2-ylamino)hexanamide?
The IUPAC name of ethane;2-methyl-6-(propan-2-ylamino)hexanamide (CID 166138020) is ethane;2-methyl-6-(propan-2-ylamino)hexanamide.
What is the SMILES notation for ethane;2-methyl-6-(propan-2-ylamino)hexanamide?
The canonical SMILES for ethane;2-methyl-6-(propan-2-ylamino)hexanamide is CC.CC(C)NCCCCC(C)C(N)=O.
What is the InChIKey of ethane;2-methyl-6-(propan-2-ylamino)hexanamide?
The InChIKey is JSRKOFXNFWEWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C2H6/c1-8(2)12-7-5-4-6-9(3)10(11)13;1-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1-2H3.
What are the key properties of ethane;2-methyl-6-(propan-2-ylamino)hexanamide?
ethane;2-methyl-6-(propan-2-ylamino)hexanamide has a molecular weight of 216.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 166138020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).