3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine

C12H23N3 — CID 106328740

IUPAC3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CC)NCCc1nccn1C
InChIInChI=1S/C12H23N3/c1-5-12(3,6-2)14-8-7-11-13-9-10-15(11)4/h9-10,14H,5-8H2,1-4H3
InChIKeyCLYMWSQCQFZYSS-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.13
Rot. Bonds6

About 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine (PubChem CID 106328740) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
PubChem CID106328740
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
SMILESCCC(C)(CC)NCCc1nccn1C
InChIInChI=1S/C12H23N3/c1-5-12(3,6-2)14-8-7-11-13-9-10-15(11)4/h9-10,14H,5-8H2,1-4H3
InChIKeyCLYMWSQCQFZYSS-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106167285
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
azane;1-methyl-2-propylimidazole
CID 174525892
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine (CID 106328740) is 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine is CCC(C)(CC)NCCc1nccn1C.
What is the InChIKey of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
The InChIKey is CLYMWSQCQFZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(3,6-2)14-8-7-11-13-9-10-15(11)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine?
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 106328740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).