N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine

C16H29N3 — CID 79828969

IUPACN-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine
SMILESCCNC1C(n2ccnc2C(C)C)CCCC1(C)C
InChIInChI=1S/C16H29N3/c1-6-17-14-13(8-7-9-16(14,4)5)19-11-10-18-15(19)12(2)3/h10-14,17H,6-9H2,1-5H3
InChIKeyQDQHCFNFIGDWNQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine

N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine (PubChem CID 79828969) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine
PubChem CID79828969
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine
SMILESCCNC1C(n2ccnc2C(C)C)CCCC1(C)C
InChIInChI=1S/C16H29N3/c1-6-17-14-13(8-7-9-16(14,4)5)19-11-10-18-15(19)12(2)3/h10-14,17H,6-9H2,1-5H3
InChIKeyQDQHCFNFIGDWNQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine (CID 79828969) is N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine is CCNC1C(n2ccnc2C(C)C)CCCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is QDQHCFNFIGDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-14-13(8-7-9-16(14,4)5)19-11-10-18-15(19)12(2)3/h10-14,17H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79828969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).