1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol

C14H29NO2 — CID 106676604

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-11-5-7-14(10-15,8-6-11)12(16)9-13(2,3)17-4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyQZHWUOXVSSBQLW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds5

About 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol

1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol (PubChem CID 106676604) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
PubChem CID106676604
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-11-5-7-14(10-15,8-6-11)12(16)9-13(2,3)17-4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyQZHWUOXVSSBQLW-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol with MolForge

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
CID 79138322
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
1-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylsulfanylbutan-1-ol
CID 103090561
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-3-methoxy-3-methylbutan-1-ol
CID 106676605
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
CID 103032500
[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123901
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutanamide
CID 103022522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol (CID 106676604) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol?
The InChIKey is QZHWUOXVSSBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11-5-7-14(10-15,8-6-11)12(16)9-13(2,3)17-4/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol?
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 106676604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).