(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine

C20H29N — CID 143387337

IUPAC(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine
SMILESC=CC(=C)/C=C/C=C(\C)C1CC1/C=C(C)/C=N/CCCC
InChIInChI=1S/C20H29N/c1-6-8-12-21-15-17(4)13-19-14-20(19)18(5)11-9-10-16(3)7-2/h7,9-11,13,15,19-20H,2-3,6,8,12,14H2,1,4-5H3/b10-9+,17-13+,18-11+,21-15+
InChIKeyFYIOVOYYQPNIGQ-VTPHCRLGSA-N
MW283.46 g/mol
LogP5.68
Rot. Bonds9

About (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine

(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine (PubChem CID 143387337) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine
PubChem CID143387337
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine
SMILESC=CC(=C)/C=C/C=C(\C)C1CC1/C=C(C)/C=N/CCCC
InChIInChI=1S/C20H29N/c1-6-8-12-21-15-17(4)13-19-14-20(19)18(5)11-9-10-16(3)7-2/h7,9-11,13,15,19-20H,2-3,6,8,12,14H2,1,4-5H3/b10-9+,17-13+,18-11+,21-15+
InChIKeyFYIOVOYYQPNIGQ-VTPHCRLGSA-N
XLogP5.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
(2Z)-2-cyclopropyl-N-methylpenta-2,4-dien-1-imine
CID 88225763
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
CID 118616768
4-(5,5-diethyl-6,9-dimethylcyclonona-1,6-dien-1-yl)-N-methyl-2-methylidenepent-3-en-1-imine
CID 123200197
1-Methyl-3-(2-methylpropylidene)-6-(2-prop-1-enylcyclopropyl)-2,4-dihydroazepin-1-ium
CID 123384014
(Z)-N-(2-ethyl-4-ethylidene-3-methylnon-5-en-8-ynyl)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 123704449
(Z)-N-butyl-4,5,6-trimethyl-2-propan-2-yloct-2-en-1-imine
CID 123756222
N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine
CID 123920709
N-(1-cyclopropylethyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 123931706
(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine
CID 129067097

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine?
The IUPAC name of (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine (CID 143387337) is (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine?
The canonical SMILES for (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine is C=CC(=C)/C=C/C=C(\C)C1CC1/C=C(C)/C=N/CCCC.
What is the InChIKey of (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine?
The InChIKey is FYIOVOYYQPNIGQ-VTPHCRLGSA-N. The full InChI is InChI=1S/C20H29N/c1-6-8-12-21-15-17(4)13-19-14-20(19)18(5)11-9-10-16(3)7-2/h7,9-11,13,15,19-20H,2-3,6,8,12,14H2,1,4-5H3/b10-9+,17-13+,18-11+,21-15+.
What are the key properties of (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine?
(E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine has a molecular weight of 283.46 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-methyl-3-[2-[(2E,4E)-6-methylideneocta-2,4,7-trien-2-yl]cyclopropyl]prop-2-en-1-imine is sourced from PubChem (CID 143387337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).