N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

C14H26N4 — CID 61215311

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCCc1nccn1C)C1CCCN(C)C1
InChIInChI=1S/C14H26N4/c1-12(13-5-4-9-17(2)11-13)15-7-6-14-16-8-10-18(14)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyGGXUZWVLVUXYGR-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 61215311) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID61215311
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCCc1nccn1C)C1CCCN(C)C1
InChIInChI=1S/C14H26N4/c1-12(13-5-4-9-17(2)11-13)15-7-6-14-16-8-10-18(14)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyGGXUZWVLVUXYGR-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 113429636

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 61215311) is N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NCCc1nccn1C)C1CCCN(C)C1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is GGXUZWVLVUXYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(13-5-4-9-17(2)11-13)15-7-6-14-16-8-10-18(14)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 61215311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).