N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C17H31N3 — CID 81030073

IUPACN-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1c1nccn1CC
InChIInChI=1S/C17H31N3/c1-5-18-12-15-8-7-14(13(3)4)11-16(15)17-19-9-10-20(17)6-2/h9-10,13-16,18H,5-8,11-12H2,1-4H3
InChIKeyILTFGDAMFIPKNZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.67
Rot. Bonds6

About N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 81030073) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID81030073
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1c1nccn1CC
InChIInChI=1S/C17H31N3/c1-5-18-12-15-8-7-14(13(3)4)11-16(15)17-19-9-10-20(17)6-2/h9-10,13-16,18H,5-8,11-12H2,1-4H3
InChIKeyILTFGDAMFIPKNZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 81030073) is N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1c1nccn1CC.
What is the InChIKey of N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is ILTFGDAMFIPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-18-12-15-8-7-14(13(3)4)11-16(15)17-19-9-10-20(17)6-2/h9-10,13-16,18H,5-8,11-12H2,1-4H3.
What are the key properties of N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).