ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine

C15H32N2 — CID 171641475

IUPACethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
SMILESCC.CCN1CCC(CN(C)C2CCC2)CC1
InChIInChI=1S/C13H26N2.C2H6/c1-3-15-9-7-12(8-10-15)11-14(2)13-5-4-6-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyGIYKASOOGMZYRC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.23
Rot. Bonds4

About ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine

ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine (PubChem CID 171641475) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine.

Molecular Properties

Compound Nameethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
PubChem CID171641475
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
SMILESCC.CCN1CCC(CN(C)C2CCC2)CC1
InChIInChI=1S/C13H26N2.C2H6/c1-3-15-9-7-12(8-10-15)11-14(2)13-5-4-6-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyGIYKASOOGMZYRC-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
CID 62370363
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
1,4-diethylpiperidine;ethane
CID 143709904
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
CID 163401097
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine?
The IUPAC name of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine (CID 171641475) is ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine.
What is the SMILES notation for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine?
The canonical SMILES for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine is CC.CCN1CCC(CN(C)C2CCC2)CC1.
What is the InChIKey of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine?
The InChIKey is GIYKASOOGMZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-3-15-9-7-12(8-10-15)11-14(2)13-5-4-6-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine?
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine has a molecular weight of 240.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine is sourced from PubChem (CID 171641475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).