1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C19H29NO — CID 115420935

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCCC(CN)(C2(O)CCC(C)c3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-14-6-5-10-18(12-14,13-20)19(21)11-9-15(2)16-7-3-4-8-17(16)19/h3-4,7-8,14-15,21H,5-6,9-13,20H2,1-2H3
InChIKeyINUJRPCLKNEIHI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.93
Rot. Bonds2

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

1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115420935) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115420935
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCCC(CN)(C2(O)CCC(C)c3ccccc32)C1
InChIInChI=1S/C19H29NO/c1-14-6-5-10-18(12-14,13-20)19(21)11-9-15(2)16-7-3-4-8-17(16)19/h3-4,7-8,14-15,21H,5-6,9-13,20H2,1-2H3
InChIKeyINUJRPCLKNEIHI-UHFFFAOYSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methylcyclohexan-1-ol
CID 79127521
5-[3-(diethylamino)propyl]-9-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 54036827
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-3-methylcyclopentyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79368212
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
1-(aminomethyl)-N-cyclohexyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418589

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115420935) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCCC(CN)(C2(O)CCC(C)c3ccccc32)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is INUJRPCLKNEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-6-5-10-18(12-14,13-20)19(21)11-9-15(2)16-7-3-4-8-17(16)19/h3-4,7-8,14-15,21H,5-6,9-13,20H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115420935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).