(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide

C15H30N2O — CID 89154039

IUPAC(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide
SMILESCC(N)C/C=C\C(C)(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)17(12(3)4)14(18)15(6,7)10-8-9-13(5)16/h8,10-13H,9,16H2,1-7H3/b10-8-
InChIKeyXWZXFDFTNBRALT-NTMALXAHSA-N
MW254.42 g/mol
LogP2.95
Rot. Bonds6

About (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide

(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide (PubChem CID 89154039) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide.

Molecular Properties

Compound Name(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide
PubChem CID89154039
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide
SMILESCC(N)C/C=C\C(C)(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)17(12(3)4)14(18)15(6,7)10-8-9-13(5)16/h8,10-13H,9,16H2,1-7H3/b10-8-
InChIKeyXWZXFDFTNBRALT-NTMALXAHSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,5S)-5-aminohex-2-enoic acid
CID 55284274
2,2,3,3-tetramethyl-N,N-di(propan-2-yl)butanamide
CID 58799213
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide
CID 59033207
2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 89122831
(E)-pent-1-ene-1,4-diamine
CID 143973690
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
[(2R)-2-aminopropyl]-tert-butylcarbamic acid
CID 97170149
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
CID 102466999

Frequently Asked Questions

What is the IUPAC name of (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide?
The IUPAC name of (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide (CID 89154039) is (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide.
What is the SMILES notation for (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide?
The canonical SMILES for (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide is CC(N)C/C=C\C(C)(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide?
The InChIKey is XWZXFDFTNBRALT-NTMALXAHSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)17(12(3)4)14(18)15(6,7)10-8-9-13(5)16/h8,10-13H,9,16H2,1-7H3/b10-8-.
What are the key properties of (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide?
(Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide has a molecular weight of 254.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-amino-2,2-dimethyl-N,N-di(propan-2-yl)hept-3-enamide is sourced from PubChem (CID 89154039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).