(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine

C14H26N2 — CID 118188486

IUPAC(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine
SMILESC=C(C)/N=C(/C=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15)13(3,4)5/h9H,1,15H2,2-8H3/b11-9-,16-12-
InChIKeyGFFSMZRLQCZBTL-PCZLWNAYSA-N
MW222.38 g/mol
LogP3.90
Rot. Bonds2

About (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine

(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine (PubChem CID 118188486) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine
PubChem CID118188486
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine
SMILESC=C(C)/N=C(/C=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15)13(3,4)5/h9H,1,15H2,2-8H3/b11-9-,16-12-
InChIKeyGFFSMZRLQCZBTL-PCZLWNAYSA-N
XLogP3.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.90
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)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine (CID 118188486) is (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine is C=C(C)/N=C(/C=C(\N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine?
The InChIKey is GFFSMZRLQCZBTL-PCZLWNAYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15)13(3,4)5/h9H,1,15H2,2-8H3/b11-9-,16-12-.
What are the key properties of (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine?
(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine has a molecular weight of 222.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 118188486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).