N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine

C12H18N4 — CID 123938846

IUPACN-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine
SMILESC=Nc1ccc(N2CCCC(NC)C2)nc1
InChIInChI=1S/C12H18N4/c1-13-10-5-6-12(15-8-10)16-7-3-4-11(9-16)14-2/h5-6,8,11,14H,1,3-4,7,9H2,2H3
InChIKeyJJEDICPDPXCBNF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.60
Rot. Bonds3

About N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine

N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine (PubChem CID 123938846) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine
PubChem CID123938846
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine
SMILESC=Nc1ccc(N2CCCC(NC)C2)nc1
InChIInChI=1S/C12H18N4/c1-13-10-5-6-12(15-8-10)16-7-3-4-11(9-16)14-2/h5-6,8,11,14H,1,3-4,7,9H2,2H3
InChIKeyJJEDICPDPXCBNF-UHFFFAOYSA-N
XLogP1.60
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
N-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-amine
CID 62547429
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
ethane;1-(6-ethyl-2-pyridinyl)-N-methylpiperidin-3-amine
CID 164926896
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
1-(6-cyclobutylpyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 116972984

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine (CID 123938846) is N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine is C=Nc1ccc(N2CCCC(NC)C2)nc1.
What is the InChIKey of N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine?
The InChIKey is JJEDICPDPXCBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-13-10-5-6-12(15-8-10)16-7-3-4-11(9-16)14-2/h5-6,8,11,14H,1,3-4,7,9H2,2H3.
What are the key properties of N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine?
N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine has a molecular weight of 218.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(methylideneamino)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 123938846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).