N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine

C15H28N4 — CID 66162231

IUPACN-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1Cc1cncn1C(C)C
InChIInChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)11-18-9-5-4-6-14(18)7-8-16-3/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyDISRUGNXSUNJIM-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine

N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 66162231) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID66162231
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1Cc1cncn1C(C)C
InChIInChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)11-18-9-5-4-6-14(18)7-8-16-3/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyDISRUGNXSUNJIM-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66163826
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
2-[1-(isoquinolin-4-ylmethyl)piperidin-2-yl]-N-methylethanamine
CID 104504380
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 66164216
1-[(3-propan-2-ylimidazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678053
[3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788624
2-[4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830908
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
CID 82756307
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 128903854
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
(1S,4S)-5-[(3-propan-2-ylimidazol-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 154566931

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine (CID 66162231) is N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine is CNCCC1CCCCN1Cc1cncn1C(C)C.
What is the InChIKey of N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is DISRUGNXSUNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)11-18-9-5-4-6-14(18)7-8-16-3/h10,12-14,16H,4-9,11H2,1-3H3.
What are the key properties of N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine?
N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 66162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).