(Z)-3-(butylamino)-2-methylhex-2-enamide

C11H22N2O — CID 140659487

IUPAC(Z)-3-(butylamino)-2-methylhex-2-enamide
SMILESCCCCN/C(CCC)=C(/C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-4-6-8-13-10(7-5-2)9(3)11(12)14/h13H,4-8H2,1-3H3,(H2,12,14)/b10-9-
InChIKeyUYYXUIYXFLNVAP-KTKRTIGZSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds7

About (Z)-3-(butylamino)-2-methylhex-2-enamide

(Z)-3-(butylamino)-2-methylhex-2-enamide (PubChem CID 140659487) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-3-(butylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(Z)-3-(butylamino)-2-methylhex-2-enamide
PubChem CID140659487
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(Z)-3-(butylamino)-2-methylhex-2-enamide
SMILESCCCCN/C(CCC)=C(/C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-4-6-8-13-10(7-5-2)9(3)11(12)14/h13H,4-8H2,1-3H3,(H2,12,14)/b10-9-
InChIKeyUYYXUIYXFLNVAP-KTKRTIGZSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(dimethylamino)-2-methylhex-2-enamide
CID 17903381
(E)-3-(ethylamino)-2,5,5-trimethylhex-2-enamide
CID 17968385
(Z)-2-methyl-3-(methylamino)pent-2-enamide
CID 19089595
(Z)-3-(dimethylamino)-2-methylhept-2-enamide
CID 19089600
(E)-3-(diethylamino)-2,4-dimethylpent-2-enamide
CID 20281324
(E)-3-(dipropylamino)-2-methylpent-2-enamide
CID 21256418
(E)-3-amino-2-ethyl-N-propylpent-2-enamide
CID 21652620
(Z)-3-(diethylamino)-2-methylhept-2-enamide
CID 21653836
(E)-3-amino-N-butyl-2-ethylpent-2-enamide
CID 21693058
3,7-Dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 22091765
(Z)-3-(diethylamino)-2-methylhex-2-enamide
CID 22227457
(Z)-3-(diethylamino)-2-methylpent-2-enamide
CID 23174709

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(butylamino)-2-methylhex-2-enamide?
The IUPAC name of (Z)-3-(butylamino)-2-methylhex-2-enamide (CID 140659487) is (Z)-3-(butylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (Z)-3-(butylamino)-2-methylhex-2-enamide?
The canonical SMILES for (Z)-3-(butylamino)-2-methylhex-2-enamide is CCCCN/C(CCC)=C(/C)C(N)=O.
What is the InChIKey of (Z)-3-(butylamino)-2-methylhex-2-enamide?
The InChIKey is UYYXUIYXFLNVAP-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-8-13-10(7-5-2)9(3)11(12)14/h13H,4-8H2,1-3H3,(H2,12,14)/b10-9-.
What are the key properties of (Z)-3-(butylamino)-2-methylhex-2-enamide?
(Z)-3-(butylamino)-2-methylhex-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(butylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 140659487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).