3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H35NO2 — CID 165498395

IUPAC3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CCOC)C(C)C
InChIInChI=1S/C17H35NO2/c1-7-17(4,5)15-9-8-14(19)12-16(15)18(13(2)3)10-11-20-6/h13-16,19H,7-12H2,1-6H3
InChIKeyNVBMPVIYDUSRQZ-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.31
Rot. Bonds7

About 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165498395) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165498395
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(CCOC)C(C)C
InChIInChI=1S/C17H35NO2/c1-7-17(4,5)15-9-8-14(19)12-16(15)18(13(2)3)10-11-20-6/h13-16,19H,7-12H2,1-6H3
InChIKeyNVBMPVIYDUSRQZ-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-4-methylcyclohexan-1-ol
CID 82961110
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 82939923
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
3-[2-methoxyethyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 82948123
N-(2-methoxyethyl)-N-propan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 82953360

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165498395) is 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(CCOC)C(C)C.
What is the InChIKey of 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is NVBMPVIYDUSRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-7-17(4,5)15-9-8-14(19)12-16(15)18(13(2)3)10-11-20-6/h13-16,19H,7-12H2,1-6H3.
What are the key properties of 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(propan-2-yl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165498395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).