N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine

C13H22N2 — CID 146396237

IUPACN-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C(\C=C/C)C(C)C)N1CCCC1
InChIInChI=1S/C13H22N2/c1-5-8-12(11(2)3)13(14-4)15-9-6-7-10-15/h5,8,11H,4,6-7,9-10H2,1-3H3/b8-5-,13-12-
InChIKeyWIIDJXHBSBENSH-JZSLDKAOSA-N
MW206.33 g/mol
LogP3.23
Rot. Bonds4

About N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine

N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine (PubChem CID 146396237) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine
PubChem CID146396237
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C(\C=C/C)C(C)C)N1CCCC1
InChIInChI=1S/C13H22N2/c1-5-8-12(11(2)3)13(14-4)15-9-6-7-10-15/h5,8,11H,4,6-7,9-10H2,1-3H3/b8-5-,13-12-
InChIKeyWIIDJXHBSBENSH-JZSLDKAOSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.23
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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Related Compounds

N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine
CID 134579854
N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
CID 138500944
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-yl]methanimine
CID 143402601
(1E,3Z,5Z)-4-propan-2-yl-1-pyrrolidin-1-ylhepta-1,3,5-trien-1-amine
CID 155306096
N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine
CID 170342402

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine (CID 146396237) is N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine is C=N/C(=C(\C=C/C)C(C)C)N1CCCC1.
What is the InChIKey of N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine?
The InChIKey is WIIDJXHBSBENSH-JZSLDKAOSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-8-12(11(2)3)13(14-4)15-9-6-7-10-15/h5,8,11H,4,6-7,9-10H2,1-3H3/b8-5-,13-12-.
What are the key properties of N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-2-propan-2-yl-1-pyrrolidin-1-ylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 146396237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).