N-hepta-4,6-dien-2-ylmethanimine

C8H13N — CID 123466904

IUPACN-hepta-4,6-dien-2-ylmethanimine
SMILESC=CC=CCC(C)N=C
InChIInChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-6,8H,1,3,7H2,2H3
InChIKeyAAVRSJFWZFAUGD-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds4

About N-hepta-4,6-dien-2-ylmethanimine

N-hepta-4,6-dien-2-ylmethanimine (PubChem CID 123466904) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-hepta-4,6-dien-2-ylmethanimine.

Molecular Properties

Compound NameN-hepta-4,6-dien-2-ylmethanimine
PubChem CID123466904
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-hepta-4,6-dien-2-ylmethanimine
SMILESC=CC=CCC(C)N=C
InChIInChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-6,8H,1,3,7H2,2H3
InChIKeyAAVRSJFWZFAUGD-UHFFFAOYSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
CID 20817701
N-pent-3-en-2-ylmethanimine
CID 57104228
N-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 89000302
N-cyclohexa-2,4-dien-1-ylmethanimine
CID 89756894
N-[(4E)-hepta-4,6-dien-2-yl]methanimine
CID 118245240
N-cyclohexa-2,4-dien-1-ylbutan-1-imine
CID 123247925
N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
CID 123336992
N-nona-3,5-dienylmethanimine
CID 123376600
N-hex-4-en-2-ylmethanimine
CID 123507410
N-(5-methylhex-4-en-2-yl)methanimine
CID 123534808
N-cyclohexa-2,4-dien-1-ylethanimine
CID 123696940

Frequently Asked Questions

What is the IUPAC name of N-hepta-4,6-dien-2-ylmethanimine?
The IUPAC name of N-hepta-4,6-dien-2-ylmethanimine (CID 123466904) is N-hepta-4,6-dien-2-ylmethanimine.
What is the SMILES notation for N-hepta-4,6-dien-2-ylmethanimine?
The canonical SMILES for N-hepta-4,6-dien-2-ylmethanimine is C=CC=CCC(C)N=C.
What is the InChIKey of N-hepta-4,6-dien-2-ylmethanimine?
The InChIKey is AAVRSJFWZFAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-6-7-8(2)9-3/h4-6,8H,1,3,7H2,2H3.
What are the key properties of N-hepta-4,6-dien-2-ylmethanimine?
N-hepta-4,6-dien-2-ylmethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-4,6-dien-2-ylmethanimine is sourced from PubChem (CID 123466904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).