2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine

C17H26N2 — CID 55050092

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyAPAMEQUERMKUEU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine

2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 55050092) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID55050092
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyAPAMEQUERMKUEU-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248
N-ethyl-4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-amine
CID 63466781
N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
CID 55216764
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62351091
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63484507
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067210
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62615349
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 63476148
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62331020
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
N,4-diethyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63469848

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine (CID 55050092) is 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is APAMEQUERMKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-18-16-9-8-13(2)10-17(16)19-11-14-6-4-5-7-15(14)12-19/h4-7,13,16-18H,3,8-12H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55050092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).