(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine

C19H34N2 — CID 170131383

IUPAC(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(C)C/C=C(/C)N1CC[C@H](CC(C)CC)C1
InChIInChI=1S/C19H34N2/c1-6-15(2)13-19-11-12-21(14-19)18(5)10-8-16(3)7-9-17(4)20/h7,9-10,15-16,19-20H,6,8,11-14H2,1-5H3/b9-7-,18-10-,20-17+/t15?,16?,19-/m1/s1
InChIKeyWQZXLPQLYHTPMT-CDUPRYCISA-N
MW290.50 g/mol
LogP5.27
Rot. Bonds8

About (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine

(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine (PubChem CID 170131383) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine.

Molecular Properties

Compound Name(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine
PubChem CID170131383
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(C)C/C=C(/C)N1CC[C@H](CC(C)CC)C1
InChIInChI=1S/C19H34N2/c1-6-15(2)13-19-11-12-21(14-19)18(5)10-8-16(3)7-9-17(4)20/h7,9-10,15-16,19-20H,6,8,11-14H2,1-5H3/b9-7-,18-10-,20-17+/t15?,16?,19-/m1/s1
InChIKeyWQZXLPQLYHTPMT-CDUPRYCISA-N
XLogP5.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.27
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 (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine?
The IUPAC name of (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine (CID 170131383) is (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine.
What is the SMILES notation for (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine?
The canonical SMILES for (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine is [H]/N=C(C)/C=C\C(C)C/C=C(/C)N1CC[C@H](CC(C)CC)C1.
What is the InChIKey of (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine?
The InChIKey is WQZXLPQLYHTPMT-CDUPRYCISA-N. The full InChI is InChI=1S/C19H34N2/c1-6-15(2)13-19-11-12-21(14-19)18(5)10-8-16(3)7-9-17(4)20/h7,9-10,15-16,19-20H,6,8,11-14H2,1-5H3/b9-7-,18-10-,20-17+/t15?,16?,19-/m1/s1.
What are the key properties of (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine?
(3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine has a molecular weight of 290.50 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-5-methyl-8-[(3S)-3-(2-methylbutyl)pyrrolidin-1-yl]nona-3,7-dien-2-imine is sourced from PubChem (CID 170131383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).