1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine

C14H21N — CID 146359438

IUPAC1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C(/C)C1(C)C=CC=C1)C(C)C
InChIInChI=1S/C14H21N/c1-6-13(11(2)3)15-12(4)14(5)9-7-8-10-14/h6-11H,1-5H3/b13-6-,15-12+
InChIKeyJRVRSKTUWMLSSJ-ZTAWCMRGSA-N
MW203.33 g/mol
LogP4.14
Rot. Bonds3

About 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine

1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine (PubChem CID 146359438) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine.

Molecular Properties

Compound Name1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
PubChem CID146359438
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C(/C)C1(C)C=CC=C1)C(C)C
InChIInChI=1S/C14H21N/c1-6-13(11(2)3)15-12(4)14(5)9-7-8-10-14/h6-11H,1-5H3/b13-6-,15-12+
InChIKeyJRVRSKTUWMLSSJ-ZTAWCMRGSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The IUPAC name of 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine (CID 146359438) is 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine.
What is the SMILES notation for 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The canonical SMILES for 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine is C/C=C(\N=C(/C)C1(C)C=CC=C1)C(C)C.
What is the InChIKey of 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The InChIKey is JRVRSKTUWMLSSJ-ZTAWCMRGSA-N. The full InChI is InChI=1S/C14H21N/c1-6-13(11(2)3)15-12(4)14(5)9-7-8-10-14/h6-11H,1-5H3/b13-6-,15-12+.
What are the key properties of 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine has a molecular weight of 203.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopenta-2,4-dien-1-yl)-N-[(Z)-4-methylpent-2-en-3-yl]ethanimine is sourced from PubChem (CID 146359438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).