1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol

C19H29NO — CID 79125705

IUPAC1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C2(CN)CCc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-8-11-19(21,12-9-15)18(13-20)10-7-16-5-3-4-6-17(16)18/h3-6,14-15,21H,7-13,20H2,1-2H3
InChIKeyRFHVFTNSTFSMJW-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.41
Rot. Bonds3

About 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79125705) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID79125705
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C2(CN)CCc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-8-11-19(21,12-9-15)18(13-20)10-7-16-5-3-4-6-17(16)18/h3-6,14-15,21H,7-13,20H2,1-2H3
InChIKeyRFHVFTNSTFSMJW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-methylcycloheptan-1-ol
CID 79123967
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-4-methylcycloheptan-1-ol
CID 79126068
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708
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-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
CID 103565551
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-ethylcyclohexan-1-ol
CID 79126222
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-ethylcyclopentan-1-ol
CID 79125916
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
CID 138978133

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol (CID 79125705) is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(C2(CN)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RFHVFTNSTFSMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-8-11-19(21,12-9-15)18(13-20)10-7-16-5-3-4-6-17(16)18/h3-6,14-15,21H,7-13,20H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol?
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.41, 3 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]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79125705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).