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

C19H27NO — CID 79125376

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C19H27NO/c20-13-18(10-15-4-1-2-5-16(15)11-18)19(21)9-3-6-17(12-19)14-7-8-14/h1-2,4-5,14,17,21H,3,6-13,20H2
InChIKeyKTIXCTUWMKQKEP-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.06
Rot. Bonds3

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

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 79125376) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
PubChem CID79125376
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C19H27NO/c20-13-18(10-15-4-1-2-5-16(15)11-18)19(21)9-3-6-17(12-19)14-7-8-14/h1-2,4-5,14,17,21H,3,6-13,20H2
InChIKeyKTIXCTUWMKQKEP-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
CID 80603544
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4,4-dimethylcyclohexan-1-ol
CID 79123441
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propan-2-ylcyclohexan-1-ol
CID 79125708
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
CID 79123419
3-[2-(aminomethyl)-1,3-dihydroinden-2-yl]oxolan-3-ol
CID 79135407
3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
CID 81468062
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
CID 79135402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol (CID 79125376) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol is NCC1(C2(O)CCCC(C3CC3)C2)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is KTIXCTUWMKQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-13-18(10-15-4-1-2-5-16(15)11-18)19(21)9-3-6-17(12-19)14-7-8-14/h1-2,4-5,14,17,21H,3,6-13,20H2.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 79125376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).