N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine

C12H20N2 — CID 138500944

IUPACN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(/C)C=CCCN1CCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-
InChIKeyKYLSVUXHIURLMQ-MTKXHLDGSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds5

About N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine

N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine (PubChem CID 138500944) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
PubChem CID138500944
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(/C)C=CCCN1CCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-
InChIKeyKYLSVUXHIURLMQ-MTKXHLDGSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine (CID 138500944) is N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine is C=N/C=C(/C)C=CCCN1CCCC1.
What is the InChIKey of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The InChIKey is KYLSVUXHIURLMQ-MTKXHLDGSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-.
What are the key properties of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 138500944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).