(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine

C13H24N2 — CID 146576892

IUPAC(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine
SMILESC=C/N=C(C(=C\N)/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C13H24N2/c1-8-15-11(13(5,6)7)10(9-14)12(2,3)4/h8-9H,1,14H2,2-7H3/b10-9+,15-11-
InChIKeySSAMBCRVGCXURJ-RKVFCIRRSA-N
MW208.35 g/mol
LogP3.51
Rot. Bonds2

About (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine

(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine (PubChem CID 146576892) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine
PubChem CID146576892
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine
SMILESC=C/N=C(C(=C\N)/C(C)(C)C)\C(C)(C)C
InChIInChI=1S/C13H24N2/c1-8-15-11(13(5,6)7)10(9-14)12(2,3)4/h8-9H,1,14H2,2-7H3/b10-9+,15-11-
InChIKeySSAMBCRVGCXURJ-RKVFCIRRSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine?
The IUPAC name of (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine (CID 146576892) is (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine.
What is the SMILES notation for (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine?
The canonical SMILES for (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine is C=C/N=C(C(=C\N)/C(C)(C)C)\C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine?
The InChIKey is SSAMBCRVGCXURJ-RKVFCIRRSA-N. The full InChI is InChI=1S/C13H24N2/c1-8-15-11(13(5,6)7)10(9-14)12(2,3)4/h8-9H,1,14H2,2-7H3/b10-9+,15-11-.
What are the key properties of (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine?
(Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-3-ethenylimino-4,4-dimethylpent-1-en-1-amine is sourced from PubChem (CID 146576892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).