(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine

C17H30N2 — CID 139519521

IUPAC(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
SMILESC=C(/C=C\C)C(/N=C/C(C)C)C(NCC)/C(C)=C/C
InChIInChI=1S/C17H30N2/c1-8-11-15(7)17(19-12-13(4)5)16(18-10-3)14(6)9-2/h8-9,11-13,16-18H,7,10H2,1-6H3/b11-8-,14-9+,19-12+
InChIKeyWGAHJVGVTTYQSC-FBYQXNCXSA-N
MW262.44 g/mol
LogP4.16
Rot. Bonds8

About (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine

(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine (PubChem CID 139519521) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine.

Molecular Properties

Compound Name(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
PubChem CID139519521
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
SMILESC=C(/C=C\C)C(/N=C/C(C)C)C(NCC)/C(C)=C/C
InChIInChI=1S/C17H30N2/c1-8-11-15(7)17(19-12-13(4)5)16(18-10-3)14(6)9-2/h8-9,11-13,16-18H,7,10H2,1-6H3/b11-8-,14-9+,19-12+
InChIKeyWGAHJVGVTTYQSC-FBYQXNCXSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine?
The IUPAC name of (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine (CID 139519521) is (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine.
What is the SMILES notation for (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine?
The canonical SMILES for (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine is C=C(/C=C\C)C(/N=C/C(C)C)C(NCC)/C(C)=C/C.
What is the InChIKey of (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine?
The InChIKey is WGAHJVGVTTYQSC-FBYQXNCXSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-11-15(7)17(19-12-13(4)5)16(18-10-3)14(6)9-2/h8-9,11-13,16-18H,7,10H2,1-6H3/b11-8-,14-9+,19-12+.
What are the key properties of (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine?
(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine has a molecular weight of 262.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine is sourced from PubChem (CID 139519521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).