[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol

C19H37NO — CID 104576136

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3
InChIKeyYFIXMNASVRTGMT-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.36
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol (PubChem CID 104576136) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
PubChem CID104576136
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
SMILESCC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3
InChIKeyYFIXMNASVRTGMT-UHFFFAOYSA-N
XLogP4.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol (CID 104576136) is [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol is CC1CCC(CN)(C(O)C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
The InChIKey is YFIXMNASVRTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14-9-11-19(13-20,12-10-14)17(21)15-5-7-16(8-6-15)18(2,3)4/h14-17,21H,5-13,20H2,1-4H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol has a molecular weight of 295.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 104576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).