1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol

C19H37NO — CID 106664470

IUPAC1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37NO/c1-14-11-17(5,6)12-19(14,21)18(13-20)9-7-15(8-10-18)16(2,3)4/h14-15,21H,7-13,20H2,1-6H3
InChIKeyQHYKDEYZNVURTH-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.36
Rot. Bonds2

About 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106664470) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106664470
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H37NO/c1-14-11-17(5,6)12-19(14,21)18(13-20)9-7-15(8-10-18)16(2,3)4/h14-15,21H,7-13,20H2,1-6H3
InChIKeyQHYKDEYZNVURTH-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol (CID 106664470) is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is QHYKDEYZNVURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14-11-17(5,6)12-19(14,21)18(13-20)9-7-15(8-10-18)16(2,3)4/h14-15,21H,7-13,20H2,1-6H3.
What are the key properties of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol?
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106664470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).