1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol

C19H37NO — CID 79125209

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37NO/c1-15-7-5-10-18(13-15,14-20)19(21)11-6-8-16(9-12-19)17(2,3)4/h15-16,21H,5-14,20H2,1-4H3
InChIKeyZLHZMKXJCIVKHO-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.50
Rot. Bonds2

About 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol

1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol (PubChem CID 79125209) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
PubChem CID79125209
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37NO/c1-15-7-5-10-18(13-15,14-20)19(21)11-6-8-16(9-12-19)17(2,3)4/h15-16,21H,5-14,20H2,1-4H3
InChIKeyZLHZMKXJCIVKHO-UHFFFAOYSA-N
XLogP4.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79126439
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
4-[1-(aminomethyl)-4-tert-butylcyclohexyl]-1-methylazepan-4-ol
CID 79124808
1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79128825
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-methylpiperidin-4-ol
CID 79135647
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol (CID 79125209) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol is CC1CCCC(CN)(C2(O)CCCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol?
The InChIKey is ZLHZMKXJCIVKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15-7-5-10-18(13-15,14-20)19(21)11-6-8-16(9-12-19)17(2,3)4/h15-16,21H,5-14,20H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol?
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol is sourced from PubChem (CID 79125209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).