N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine

C10H18N2 — CID 155700723

IUPACN-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine
SMILESC=C1CCCCN1/C(CC)=N/C
InChIInChI=1S/C10H18N2/c1-4-10(11-3)12-8-6-5-7-9(12)2/h2,4-8H2,1,3H3/b11-10+
InChIKeyPVAFIDFVKZCVNV-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds1

About N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine

N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine (PubChem CID 155700723) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine
PubChem CID155700723
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine
SMILESC=C1CCCCN1/C(CC)=N/C
InChIInChI=1S/C10H18N2/c1-4-10(11-3)12-8-6-5-7-9(12)2/h2,4-8H2,1,3H3/b11-10+
InChIKeyPVAFIDFVKZCVNV-ZHACJKMWSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine
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1-methyl-N-prop-1-en-2-ylpiperidin-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine?
The IUPAC name of N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine (CID 155700723) is N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine.
What is the SMILES notation for N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine?
The canonical SMILES for N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine is C=C1CCCCN1/C(CC)=N/C.
What is the InChIKey of N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine?
The InChIKey is PVAFIDFVKZCVNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(11-3)12-8-6-5-7-9(12)2/h2,4-8H2,1,3H3/b11-10+.
What are the key properties of N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine?
N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylidenepiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 155700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).