1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol

C19H29NO — CID 79126222

IUPAC1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-16-10-5-6-13-19(16,21)18(14-20)12-7-9-15-8-3-4-11-17(15)18/h3-4,8,11,16,21H,2,5-7,9-10,12-14,20H2,1H3
InChIKeyUDYAQNBHZNHCPS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.55
Rot. Bonds3

About 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol

1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol (PubChem CID 79126222) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol
PubChem CID79126222
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-16-10-5-6-13-19(16,21)18(14-20)12-7-9-15-8-3-4-11-17(15)18/h3-4,8,11,16,21H,2,5-7,9-10,12-14,20H2,1H3
InChIKeyUDYAQNBHZNHCPS-UHFFFAOYSA-N
XLogP3.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol
CID 79125407
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
CID 79127521
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-4-methylcycloheptan-1-ol
CID 79126068
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-methylcycloheptan-1-ol
CID 79123967
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125705
(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 82933231
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
CID 79115229

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol (CID 79126222) is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol?
The InChIKey is UDYAQNBHZNHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-16-10-5-6-13-19(16,21)18(14-20)12-7-9-15-8-3-4-11-17(15)18/h3-4,8,11,16,21H,2,5-7,9-10,12-14,20H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol?
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 79126222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).