butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine

C17H38N2 — CID 156795126

IUPACbutane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
SMILESCCCC.CCCCN1CCC(CN(C)CC)CC1
InChIInChI=1S/C13H28N2.C4H10/c1-4-6-9-15-10-7-13(8-11-15)12-14(3)5-2;1-3-4-2/h13H,4-12H2,1-3H3;3-4H2,1-2H3
InChIKeyXTDHWAHVLGXACO-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.26
Rot. Bonds7

About butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine

butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine (PubChem CID 156795126) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Namebutane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
PubChem CID156795126
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Namebutane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
SMILESCCCC.CCCCN1CCC(CN(C)CC)CC1
InChIInChI=1S/C13H28N2.C4H10/c1-4-6-9-15-10-7-13(8-11-15)12-14(3)5-2;1-3-4-2/h13H,4-12H2,1-3H3;3-4H2,1-2H3
InChIKeyXTDHWAHVLGXACO-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]propan-1-ol
CID 111497123
N-[[1-(3-cyclohexylpropyl)pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 119036313
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
CID 166733475
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
4-butyl-1-octylpiperidine
CID 171570418
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278

Frequently Asked Questions

What is the IUPAC name of butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine?
The IUPAC name of butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine (CID 156795126) is butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine is CCCC.CCCCN1CCC(CN(C)CC)CC1.
What is the InChIKey of butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine?
The InChIKey is XTDHWAHVLGXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C4H10/c1-4-6-9-15-10-7-13(8-11-15)12-14(3)5-2;1-3-4-2/h13H,4-12H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine?
butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine has a molecular weight of 270.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 156795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).