1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol

C14H29NO2 — CID 112752648

IUPAC1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
SMILESCOCC(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)11-5-7-14(10-15,8-6-11)12(16)9-17-4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyXKRGAWNLOSUGDQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol (PubChem CID 112752648) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
PubChem CID112752648
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
SMILESCOCC(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)11-5-7-14(10-15,8-6-11)12(16)9-17-4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyXKRGAWNLOSUGDQ-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol?
The IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol (CID 112752648) is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol is COCC(O)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol?
The InChIKey is XKRGAWNLOSUGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)11-5-7-14(10-15,8-6-11)12(16)9-17-4/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol?
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol has a molecular weight of 243.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol is sourced from PubChem (CID 112752648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).