3-(hept-6-enylamino)-3-methylbutanamide

C12H24N2O — CID 107167055

IUPAC3-(hept-6-enylamino)-3-methylbutanamide
SMILESC=CCCCCCNC(C)(C)CC(N)=O
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-14-12(2,3)10-11(13)15/h4,14H,1,5-10H2,2-3H3,(H2,13,15)
InChIKeyLNBTVTUGTNLTSS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds9

About 3-(hept-6-enylamino)-3-methylbutanamide

3-(hept-6-enylamino)-3-methylbutanamide (PubChem CID 107167055) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(hept-6-enylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(hept-6-enylamino)-3-methylbutanamide
PubChem CID107167055
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(hept-6-enylamino)-3-methylbutanamide
SMILESC=CCCCCCNC(C)(C)CC(N)=O
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-8-9-14-12(2,3)10-11(13)15/h4,14H,1,5-10H2,2-3H3,(H2,13,15)
InChIKeyLNBTVTUGTNLTSS-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(hex-5-enylamino)-2-methylpropanoate
CID 151175914
3-(hept-6-enylamino)propanamide
CID 107006585
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
nonadec-18-enamide
CID 166991988
bis(dodecanamide);hex-1-ene
CID 159337008
[2-methyl-2-(octylamino)propyl] prop-2-enoate
CID 89156763
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
N-tert-butylhex-5-enamide
CID 15640339
deca-1,9-diene;ethyl carbamate
CID 158614970
2-amino-2-methyldec-9-enoic acid
CID 76833646
(Z)-docos-13-enamide;2-methyl-N-propylbut-3-en-2-amine;hydrobromide
CID 175412159
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylamino)-3-methylbutanamide?
The IUPAC name of 3-(hept-6-enylamino)-3-methylbutanamide (CID 107167055) is 3-(hept-6-enylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(hept-6-enylamino)-3-methylbutanamide?
The canonical SMILES for 3-(hept-6-enylamino)-3-methylbutanamide is C=CCCCCCNC(C)(C)CC(N)=O.
What is the InChIKey of 3-(hept-6-enylamino)-3-methylbutanamide?
The InChIKey is LNBTVTUGTNLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-7-8-9-14-12(2,3)10-11(13)15/h4,14H,1,5-10H2,2-3H3,(H2,13,15).
What are the key properties of 3-(hept-6-enylamino)-3-methylbutanamide?
3-(hept-6-enylamino)-3-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylamino)-3-methylbutanamide is sourced from PubChem (CID 107167055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).