1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol

C12H25NO — CID 15638554

IUPAC1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
SMILESCC(N)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h9-10,14H,5-8,13H2,1-4H3
InChIKeyWFPCSMPTPAJSAG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds1

About 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol

1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol (PubChem CID 15638554) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
PubChem CID15638554
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
SMILESCC(N)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h9-10,14H,5-8,13H2,1-4H3
InChIKeyWFPCSMPTPAJSAG-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
CID 79416509
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
CID 79128025
1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79127529
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol
CID 15695896
4-tert-butyl-1,1-dihydroperoxycyclohexane
CID 16750617
1-[4-tert-butyl-1-(hydroxymethyl)cyclohexyl]propan-2-ol
CID 13229863
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
4-tert-butyl-1-ethylcyclohexan-1-amine
CID 43809409
4-(1-aminoethyl)-1,1-dioxothian-4-ol
CID 105447453
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol (CID 15638554) is 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol is CC(N)C1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol?
The InChIKey is WFPCSMPTPAJSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h9-10,14H,5-8,13H2,1-4H3.
What are the key properties of 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol?
1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 15638554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).