N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine

C14H27N3 — CID 66135456

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCn1cncc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H27N3/c1-7-17-11-15-8-12(17)9-16-14(5,6)10-13(2,3)4/h8,11,16H,7,9-10H2,1-6H3
InChIKeyJEQMOBAOIIADQW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine

N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 66135456) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID66135456
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCn1cncc1CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H27N3/c1-7-17-11-15-8-12(17)9-16-14(5,6)10-13(2,3)4/h8,11,16H,7,9-10H2,1-6H3
InChIKeyJEQMOBAOIIADQW-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168390
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 66134447
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine
CID 107649117
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
6-bromo-N-[(3-ethylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 114050656
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine (CID 66135456) is N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine is CCn1cncc1CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is JEQMOBAOIIADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-17-11-15-8-12(17)9-16-14(5,6)10-13(2,3)4/h8,11,16H,7,9-10H2,1-6H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 66135456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).