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

C12H23N3 — CID 65039838

IUPAC3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1nccn1C
InChIInChI=1S/C12H23N3/c1-5-12(6-2,7-3)14-10-11-13-8-9-15(11)4/h8-9,14H,5-7,10H2,1-4H3
InChIKeyDJTJJYCTLJBORQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.48
Rot. Bonds6

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

3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine (PubChem CID 65039838) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
PubChem CID65039838
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1nccn1C
InChIInChI=1S/C12H23N3/c1-5-12(6-2,7-3)14-10-11-13-8-9-15(11)4/h8-9,14H,5-7,10H2,1-4H3
InChIKeyDJTJJYCTLJBORQ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
azane;1-methyl-2-propylimidazole
CID 174525892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine (CID 65039838) is 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1nccn1C.
What is the InChIKey of 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
The InChIKey is DJTJJYCTLJBORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(6-2,7-3)14-10-11-13-8-9-15(11)4/h8-9,14H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine?
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 65039838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).