N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine

C12H23N3 — CID 83160750

IUPACN-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ncc[nH]1
InChIInChI=1S/C12H23N3/c1-4-13-11(7-5-6-10(2)3)12-14-8-9-15-12/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeySSFCTDQIJFICMU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine

N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine (PubChem CID 83160750) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine
PubChem CID83160750
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ncc[nH]1
InChIInChI=1S/C12H23N3/c1-4-13-11(7-5-6-10(2)3)12-14-8-9-15-12/h8-11,13H,4-7H2,1-3H3,(H,14,15)
InChIKeySSFCTDQIJFICMU-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine (CID 83160750) is N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1ncc[nH]1.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine?
The InChIKey is SSFCTDQIJFICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-13-11(7-5-6-10(2)3)12-14-8-9-15-12/h8-11,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine?
N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 83160750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).