N-(1-methylpiperidin-4-yl)propan-2-imine

C9H18N2 — CID 123600860

IUPACN-(1-methylpiperidin-4-yl)propan-2-imine
SMILESCC(C)=NC1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-8(2)10-9-4-6-11(3)7-5-9/h9H,4-7H2,1-3H3
InChIKeySEXJDPLKBJBRFN-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.56
Rot. Bonds1

About N-(1-methylpiperidin-4-yl)propan-2-imine

N-(1-methylpiperidin-4-yl)propan-2-imine (PubChem CID 123600860) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)propan-2-imine
PubChem CID123600860
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(1-methylpiperidin-4-yl)propan-2-imine
SMILESCC(C)=NC1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-8(2)10-9-4-6-11(3)7-5-9/h9H,4-7H2,1-3H3
InChIKeySEXJDPLKBJBRFN-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
N,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
CID 91180569
2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 55063864
2-(1-methylpiperidin-4-yl)-1-phenylguanidine
CID 62362758
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
(4R)-1,4,5-trimethylazepane
CID 89169089
4-(aminodiazenyl)-1-methylazepane
CID 122626427
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
cyclopropyl-methyl-(1-methylpiperidin-4-yl)imino-oxo-λ6-sulfane
CID 156576236
N'-(1-methylpyrrolidin-3-yl)butanimidamide
CID 63177561

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)propan-2-imine?
The IUPAC name of N-(1-methylpiperidin-4-yl)propan-2-imine (CID 123600860) is N-(1-methylpiperidin-4-yl)propan-2-imine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)propan-2-imine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)propan-2-imine is CC(C)=NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)propan-2-imine?
The InChIKey is SEXJDPLKBJBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)10-9-4-6-11(3)7-5-9/h9H,4-7H2,1-3H3.
What are the key properties of N-(1-methylpiperidin-4-yl)propan-2-imine?
N-(1-methylpiperidin-4-yl)propan-2-imine has a molecular weight of 154.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)propan-2-imine is sourced from PubChem (CID 123600860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).