(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine

C11H22N2O — CID 155392443

IUPAC(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine
SMILESCCCCC(C)N1CC/C(=N/OC)C1
InChIInChI=1S/C11H22N2O/c1-4-5-6-10(2)13-8-7-11(9-13)12-14-3/h10H,4-9H2,1-3H3/b12-11-
InChIKeyNLMDPPQHAMICDI-QXMHVHEDSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds5

About (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine

(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine (PubChem CID 155392443) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine.

Molecular Properties

Compound Name(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine
PubChem CID155392443
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine
SMILESCCCCC(C)N1CC/C(=N/OC)C1
InChIInChI=1S/C11H22N2O/c1-4-5-6-10(2)13-8-7-11(9-13)12-14-3/h10H,4-9H2,1-3H3/b12-11-
InChIKeyNLMDPPQHAMICDI-QXMHVHEDSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine?
The IUPAC name of (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine (CID 155392443) is (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine.
What is the SMILES notation for (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine?
The canonical SMILES for (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine is CCCCC(C)N1CC/C(=N/OC)C1.
What is the InChIKey of (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine?
The InChIKey is NLMDPPQHAMICDI-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-10(2)13-8-7-11(9-13)12-14-3/h10H,4-9H2,1-3H3/b12-11-.
What are the key properties of (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine?
(Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine has a molecular weight of 198.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hexan-2-yl-N-methoxypyrrolidin-3-imine is sourced from PubChem (CID 155392443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).