1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol

C16H23NO — CID 79125407

IUPAC1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-12-5-4-9-16(12,18)15(11-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7,12,18H,4-5,8-11,17H2,1H3
InChIKeyVKDWEHGGTAEMSL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.38
Rot. Bonds2

About 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol (PubChem CID 79125407) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol
PubChem CID79125407
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-12-5-4-9-16(12,18)15(11-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7,12,18H,4-5,8-11,17H2,1H3
InChIKeyVKDWEHGGTAEMSL-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol (CID 79125407) is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol is CC1CCCC1(O)C1(CN)CCc2ccccc21.
What is the InChIKey of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol?
The InChIKey is VKDWEHGGTAEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-4-9-16(12,18)15(11-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7,12,18H,4-5,8-11,17H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol?
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79125407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).