2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine

C14H27N5 — CID 114527386

IUPAC2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
SMILESCn1ccnc1CCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C14H27N5/c1-14(2,12-15)19-10-8-18(9-11-19)6-4-13-16-5-7-17(13)3/h5,7H,4,6,8-12,15H2,1-3H3
InChIKeyLAEBOXIGZPQNNR-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.32
Rot. Bonds5

About 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine

2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine (PubChem CID 114527386) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
PubChem CID114527386
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
SMILESCn1ccnc1CCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C14H27N5/c1-14(2,12-15)19-10-8-18(9-11-19)6-4-13-16-5-7-17(13)3/h5,7H,4,6,8-12,15H2,1-3H3
InChIKeyLAEBOXIGZPQNNR-UHFFFAOYSA-N
XLogP0.32
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propanethioamide
CID 114527913
5-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pyridin-2-amine
CID 114528274
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide
CID 107161722
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 134698250
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 114527876
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 114526097
2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
CID 63343974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine (CID 114527386) is 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine is Cn1ccnc1CCN1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine?
The InChIKey is LAEBOXIGZPQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-14(2,12-15)19-10-8-18(9-11-19)6-4-13-16-5-7-17(13)3/h5,7H,4,6,8-12,15H2,1-3H3.
What are the key properties of 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 114527386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).