4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol

C18H23NO — CID 58954892

IUPAC4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC1(O)CCC(CN)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H23NO/c1-17(20)8-10-18(13-19,11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13,19H2,1H3
InChIKeyQYIWECSPPXEFGD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.36
Rot. Bonds2

About 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol

4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 58954892) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID58954892
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC1(O)CCC(CN)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H23NO/c1-17(20)8-10-18(13-19,11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13,19H2,1H3
InChIKeyQYIWECSPPXEFGD-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol (CID 58954892) is 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is CC1(O)CCC(CN)(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is QYIWECSPPXEFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-17(20)8-10-18(13-19,11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13,19H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol?
4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 58954892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).