N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine

C8H19N2+ — CID 156796105

IUPACN-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine
SMILESCNCC1(C)CC[NH2+]CC1
InChIInChI=1S/C8H18N2/c1-8(7-9-2)3-5-10-6-4-8/h9-10H,3-7H2,1-2H3/p+1
InChIKeyVRBJOTCOGADMPP-UHFFFAOYSA-O
MW143.25 g/mol
LogP-0.43
Rot. Bonds2

About N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine

N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine (PubChem CID 156796105) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine
PubChem CID156796105
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC NameN-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine
SMILESCNCC1(C)CC[NH2+]CC1
InChIInChI=1S/C8H18N2/c1-8(7-9-2)3-5-10-6-4-8/h9-10H,3-7H2,1-2H3/p+1
InChIKeyVRBJOTCOGADMPP-UHFFFAOYSA-O
XLogP-0.43
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane
CID 168995514
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
N-iodo-1-(1-methylcyclopentyl)methanamine
CID 156748998
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
1-(1-ethenylcyclopropyl)-N-methylmethanamine
CID 121207399
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
1-(1-fluorocyclopropyl)-N-methylmethanamine
CID 84647620
1-(methylaminomethyl)cyclopropan-1-amine
CID 65456803

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine (CID 156796105) is N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine is CNCC1(C)CC[NH2+]CC1.
What is the InChIKey of N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine?
The InChIKey is VRBJOTCOGADMPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2/c1-8(7-9-2)3-5-10-6-4-8/h9-10H,3-7H2,1-2H3/p+1.
What are the key properties of N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine?
N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine has a molecular weight of 143.25 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpiperidin-1-ium-4-yl)methanamine is sourced from PubChem (CID 156796105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).