(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine

C15H26N2 — CID 155208602

IUPAC(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(/C=C(\N=C\C)C(=C)N(C)C(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-9-16-15(10-13(6)11(2)3)14(7)17(8)12(4)5/h9-12H,6-7H2,1-5,8H3/b15-10-,16-9+
InChIKeyGTJPKBIWPHQWID-KJZZCODFSA-N
MW234.39 g/mol
LogP4.03
Rot. Bonds6

About (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine

(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine (PubChem CID 155208602) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
PubChem CID155208602
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(/C=C(\N=C\C)C(=C)N(C)C(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-9-16-15(10-13(6)11(2)3)14(7)17(8)12(4)5/h9-12H,6-7H2,1-5,8H3/b15-10-,16-9+
InChIKeyGTJPKBIWPHQWID-KJZZCODFSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
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 (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine (CID 155208602) is (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine is C=C(/C=C(\N=C\C)C(=C)N(C)C(C)C)C(C)C.
What is the InChIKey of (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine?
The InChIKey is GTJPKBIWPHQWID-KJZZCODFSA-N. The full InChI is InChI=1S/C15H26N2/c1-9-16-15(10-13(6)11(2)3)14(7)17(8)12(4)5/h9-12H,6-7H2,1-5,8H3/b15-10-,16-9+.
What are the key properties of (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine?
(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine has a molecular weight of 234.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine is sourced from PubChem (CID 155208602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).