(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine

C17H32N2 — CID 146429469

IUPAC(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine
SMILESC=C(C)C(C(/C=C(\C)CN(C)CCC)=N/C)C(C)C
InChIInChI=1S/C17H32N2/c1-9-10-19(8)12-15(6)11-16(18-7)17(13(2)3)14(4)5/h11,14,17H,2,9-10,12H2,1,3-8H3/b15-11+,18-16+
InChIKeyHWYWKSWVOGFWMT-VJYQPPNCSA-N
MW264.46 g/mol
LogP4.19
Rot. Bonds8

About (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine

(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine (PubChem CID 146429469) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine
PubChem CID146429469
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine
SMILESC=C(C)C(C(/C=C(\C)CN(C)CCC)=N/C)C(C)C
InChIInChI=1S/C17H32N2/c1-9-10-19(8)12-15(6)11-16(18-7)17(13(2)3)14(4)5/h11,14,17H,2,9-10,12H2,1,3-8H3/b15-11+,18-16+
InChIKeyHWYWKSWVOGFWMT-VJYQPPNCSA-N
XLogP4.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine (CID 146429469) is (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine is C=C(C)C(C(/C=C(\C)CN(C)CCC)=N/C)C(C)C.
What is the InChIKey of (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine?
The InChIKey is HWYWKSWVOGFWMT-VJYQPPNCSA-N. The full InChI is InChI=1S/C17H32N2/c1-9-10-19(8)12-15(6)11-16(18-7)17(13(2)3)14(4)5/h11,14,17H,2,9-10,12H2,1,3-8H3/b15-11+,18-16+.
What are the key properties of (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine?
(2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine has a molecular weight of 264.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2,6-trimethyl-4-methylimino-5-propan-2-yl-N-propylhepta-2,6-dien-1-amine is sourced from PubChem (CID 146429469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).