(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine

C12H22N2 — CID 155701420

IUPAC(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
SMILESC=N/C=C(/C)C(=C)CCNC(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(11(2)9-13-6)7-8-14-12(3,4)5/h9,14H,1,6-8H2,2-5H3/b11-9-
InChIKeyRRECXTAZDHJVRE-LUAWRHEFSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds5

About (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine

(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine (PubChem CID 155701420) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
PubChem CID155701420
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
SMILESC=N/C=C(/C)C(=C)CCNC(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(11(2)9-13-6)7-8-14-12(3,4)5/h9,14H,1,6-8H2,2-5H3/b11-9-
InChIKeyRRECXTAZDHJVRE-LUAWRHEFSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine (CID 155701420) is (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine is C=N/C=C(/C)C(=C)CCNC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine?
The InChIKey is RRECXTAZDHJVRE-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(11(2)9-13-6)7-8-14-12(3,4)5/h9,14H,1,6-8H2,2-5H3/b11-9-.
What are the key properties of (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine?
(Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-4-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 155701420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).