ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine

C17H40N2 — CID 176984903

IUPACethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine
SMILESCC.CC.CCN(C)CC1CN(C(C)C)CCC1C
InChIInChI=1S/C13H28N2.2C2H6/c1-6-14(5)9-13-10-15(11(2)3)8-7-12(13)4;2*1-2/h11-13H,6-10H2,1-5H3;2*1-2H3
InChIKeyZXEPKYFSBDPGOO-UHFFFAOYSA-N
MW272.52 g/mol
LogP4.36
Rot. Bonds4

About ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine

ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine (PubChem CID 176984903) has the molecular formula C17H40N2 and a molecular weight of 272.52 g/mol. Its IUPAC name is ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine
PubChem CID176984903
Molecular FormulaC17H40N2
Molecular Weight272.52 g/mol
Exact Mass272.32
IUPAC Nameethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine
SMILESCC.CC.CCN(C)CC1CN(C(C)C)CCC1C
InChIInChI=1S/C13H28N2.2C2H6/c1-6-14(5)9-13-10-15(11(2)3)8-7-12(13)4;2*1-2/h11-13H,6-10H2,1-5H3;2*1-2H3
InChIKeyZXEPKYFSBDPGOO-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
CID 176983713
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664177
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine (CID 176984903) is ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine is CC.CC.CCN(C)CC1CN(C(C)C)CCC1C.
What is the InChIKey of ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is ZXEPKYFSBDPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C2H6/c1-6-14(5)9-13-10-15(11(2)3)8-7-12(13)4;2*1-2/h11-13H,6-10H2,1-5H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine?
ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 272.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 176984903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).