1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol

C19H35NO — CID 79125197

IUPAC1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCCC(C3CC3)C2)CC1
InChIInChI=1S/C19H35NO/c1-2-4-15-8-11-18(14-20,12-9-15)19(21)10-3-5-17(13-19)16-6-7-16/h15-17,21H,2-14,20H2,1H3
InChIKeyXILZCIBTMCLMHR-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol

1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 79125197) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID79125197
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCCC(C3CC3)C2)CC1
InChIInChI=1S/C19H35NO/c1-2-4-15-8-11-18(14-20,12-9-15)19(21)10-3-5-17(13-19)16-6-7-16/h15-17,21H,2-14,20H2,1H3
InChIKeyXILZCIBTMCLMHR-UHFFFAOYSA-N
XLogP4.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.25
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-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125376
1-[1-(aminomethyl)-4-propylcyclohexyl]-2-ethylcyclohexan-1-ol
CID 79126224

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol (CID 79125197) is 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol is CCCC1CCC(CN)(C2(O)CCCC(C3CC3)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is XILZCIBTMCLMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-4-15-8-11-18(14-20,12-9-15)19(21)10-3-5-17(13-19)16-6-7-16/h15-17,21H,2-14,20H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 79125197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).