N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane

C12H28N2 — CID 142888421

IUPACN,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
SMILESCCC.CN(C)CC1CCCN(C)C1
InChIInChI=1S/C9H20N2.C3H8/c1-10(2)7-9-5-4-6-11(3)8-9;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyOLMCEUIXXNOOMA-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.31
Rot. Bonds2

About N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane

N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane (PubChem CID 142888421) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
PubChem CID142888421
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
SMILESCCC.CN(C)CC1CCCN(C)C1
InChIInChI=1S/C9H20N2.C3H8/c1-10(2)7-9-5-4-6-11(3)8-9;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyOLMCEUIXXNOOMA-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
CID 126516325
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
CID 146215533
ethane;3-ethyl-1-methylpiperidine
CID 142833851
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 66804167
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane?
The IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane (CID 142888421) is N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane?
The canonical SMILES for N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane is CCC.CN(C)CC1CCCN(C)C1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane?
The InChIKey is OLMCEUIXXNOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C3H8/c1-10(2)7-9-5-4-6-11(3)8-9;1-3-2/h9H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane?
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane has a molecular weight of 200.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane is sourced from PubChem (CID 142888421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).