2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine

C13H24N4 — CID 107500889

IUPAC2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCC1(C)CCN(Cc2cn(CCN)cn2)CC1
InChIInChI=1S/C13H24N4/c1-13(2)3-6-16(7-4-13)9-12-10-17(8-5-14)11-15-12/h10-11H,3-9,14H2,1-2H3
InChIKeyNEVUOBNMGWVDED-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine

2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine (PubChem CID 107500889) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
PubChem CID107500889
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCC1(C)CCN(Cc2cn(CCN)cn2)CC1
InChIInChI=1S/C13H24N4/c1-13(2)3-6-16(7-4-13)9-12-10-17(8-5-14)11-15-12/h10-11H,3-9,14H2,1-2H3
InChIKeyNEVUOBNMGWVDED-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]ethanamine
CID 107500617
2-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine
CID 107500684
[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
CID 106718060
1-[(1-ethylimidazol-4-yl)methyl]piperidine
CID 117191782
2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107501201
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
CID 107501173
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221
3,3-dimethyl-8-[(1-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 155982669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine (CID 107500889) is 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine is CC1(C)CCN(Cc2cn(CCN)cn2)CC1.
What is the InChIKey of 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The InChIKey is NEVUOBNMGWVDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2)3-6-16(7-4-13)9-12-10-17(8-5-14)11-15-12/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine?
2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107500889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).