(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine

C17H31N — CID 135133401

IUPAC(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine
SMILESC=C(CC(C)CC)/C(CC)=C(/C(=C)C)N(C)CC
InChIInChI=1S/C17H31N/c1-9-14(6)12-15(7)16(10-2)17(13(4)5)18(8)11-3/h14H,4,7,9-12H2,1-3,5-6,8H3/b17-16-
InChIKeyOXZDGBUPOBJXPR-MSUUIHNZSA-N
MW249.44 g/mol
LogP5.17
Rot. Bonds8

About (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine

(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine (PubChem CID 135133401) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine
PubChem CID135133401
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine
SMILESC=C(CC(C)CC)/C(CC)=C(/C(=C)C)N(C)CC
InChIInChI=1S/C17H31N/c1-9-14(6)12-15(7)16(10-2)17(13(4)5)18(8)11-3/h14H,4,7,9-12H2,1-3,5-6,8H3/b17-16-
InChIKeyOXZDGBUPOBJXPR-MSUUIHNZSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine?
The IUPAC name of (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine (CID 135133401) is (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine is C=C(CC(C)CC)/C(CC)=C(/C(=C)C)N(C)CC.
What is the InChIKey of (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine?
The InChIKey is OXZDGBUPOBJXPR-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H31N/c1-9-14(6)12-15(7)16(10-2)17(13(4)5)18(8)11-3/h14H,4,7,9-12H2,1-3,5-6,8H3/b17-16-.
What are the key properties of (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine?
(3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine has a molecular weight of 249.44 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,4-diethyl-N,2,7-trimethyl-5-methylidenenona-1,3-dien-3-amine is sourced from PubChem (CID 135133401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).