N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine

C13H22N2 — CID 139453474

IUPACN-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C\C)CC(C)C(C(C)C)N1
InChIInChI=1S/C13H22N2/c1-6-7-11-8-10(4)12(9(2)3)15-13(11)14-5/h6-7,9-10,12,15H,5,8H2,1-4H3/b7-6-
InChIKeySVLHSXFHCLKWFL-SREVYHEPSA-N
MW206.33 g/mol
LogP3.13
Rot. Bonds3

About N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine

N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine (PubChem CID 139453474) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine.

Molecular Properties

Compound NameN-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
PubChem CID139453474
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C\C)CC(C)C(C(C)C)N1
InChIInChI=1S/C13H22N2/c1-6-7-11-8-10(4)12(9(2)3)15-13(11)14-5/h6-7,9-10,12,15H,5,8H2,1-4H3/b7-6-
InChIKeySVLHSXFHCLKWFL-SREVYHEPSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 126636052
CID 126636052
CID 126662046
CID 126662046
CID 139448306
CID 139448306
CID 141921307
CID 141921307
CID 144819756
CID 144819756
CID 145154188
CID 145154188
CID 155030416
CID 155030416
CID 163538989
CID 163538989
CID 164035810
CID 164035810
CID 166804055
CID 166804055
CID 166991979
CID 166991979
CID 173878883
CID 173878883

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The IUPAC name of N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine (CID 139453474) is N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine.
What is the SMILES notation for N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The canonical SMILES for N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine is C=NC1=C(/C=C\C)CC(C)C(C(C)C)N1.
What is the InChIKey of N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
The InChIKey is SVLHSXFHCLKWFL-SREVYHEPSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-7-11-8-10(4)12(9(2)3)15-13(11)14-5/h6-7,9-10,12,15H,5,8H2,1-4H3/b7-6-.
What are the key properties of N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine?
N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methanimine is sourced from PubChem (CID 139453474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).