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

C14H26N4 — CID 66163826

IUPACN-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cncn1C(C)C
InChIInChI=1S/C14H26N4/c1-12(2)18-11-16-9-14(18)10-17-7-5-4-6-13(17)8-15-3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyXZAJQZVDMBWNTG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds5

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

N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 66163826) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID66163826
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cncn1C(C)C
InChIInChI=1S/C14H26N4/c1-12(2)18-11-16-9-14(18)10-17-7-5-4-6-13(17)8-15-3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyXZAJQZVDMBWNTG-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 66162231
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 66164216
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
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
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 81318609
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
CID 82756307
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine (CID 66163826) is N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1cncn1C(C)C.
What is the InChIKey of N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is XZAJQZVDMBWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-11-16-9-14(18)10-17-7-5-4-6-13(17)8-15-3/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 66163826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).