ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine

C24H50N4 — CID 155702576

IUPACethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
SMILESCC.CC(C)N1CCC(CN2CC(N(C)CC3CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C22H44N4.C2H6/c1-18(2)25-10-6-20(7-11-25)14-23(5)22-16-24(17-22)15-21-8-12-26(13-9-21)19(3)4;1-2/h18-22H,6-17H2,1-5H3;1-2H3
InChIKeyULKKGVCFZPAIPN-UHFFFAOYSA-N
MW394.69 g/mol
LogP3.87
Rot. Bonds7

About ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine

ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine (PubChem CID 155702576) has the molecular formula C24H50N4 and a molecular weight of 394.69 g/mol. Its IUPAC name is ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
PubChem CID155702576
Molecular FormulaC24H50N4
Molecular Weight394.69 g/mol
Exact Mass394.40
IUPAC Nameethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
SMILESCC.CC(C)N1CCC(CN2CC(N(C)CC3CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C22H44N4.C2H6/c1-18(2)25-10-6-20(7-11-25)14-23(5)22-16-24(17-22)15-21-8-12-26(13-9-21)19(3)4;1-2/h18-22H,6-17H2,1-5H3;1-2H3
InChIKeyULKKGVCFZPAIPN-UHFFFAOYSA-N
XLogP3.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985
4-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
CID 154670214
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-4-[(2R)-1-[(2S)-1-methylazetidin-2-yl]propan-2-yl]piperazine
CID 163702007
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-4-[(2R)-1-(1-methylazetidin-2-yl)propan-2-yl]piperazine
CID 167009657
1-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 167417673
(2S)-1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-methyl-4-propan-2-ylpiperazine
CID 170448155
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170448227
1-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-methyl-4-propan-2-ylpiperazine
CID 170448416
1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
CID 170450620
1-[[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170617030
1-[(3-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170629140
1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170629341

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The IUPAC name of ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine (CID 155702576) is ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine.
What is the SMILES notation for ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The canonical SMILES for ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine is CC.CC(C)N1CCC(CN2CC(N(C)CC3CCN(C(C)C)CC3)C2)CC1.
What is the InChIKey of ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
The InChIKey is ULKKGVCFZPAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4.C2H6/c1-18(2)25-10-6-20(7-11-25)14-23(5)22-16-24(17-22)15-21-8-12-26(13-9-21)19(3)4;1-2/h18-22H,6-17H2,1-5H3;1-2H3.
What are the key properties of ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine?
ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine has a molecular weight of 394.69 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 155702576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).