3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol

C15H31NO — CID 165497912

IUPAC3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC)CC(C)C
InChIInChI=1S/C15H31NO/c1-5-7-13-8-9-14(17)10-15(13)16(6-2)11-12(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyVXBNWUPHXCTGGF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.29
Rot. Bonds6

About 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol

3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol (PubChem CID 165497912) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
PubChem CID165497912
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC)CC(C)C
InChIInChI=1S/C15H31NO/c1-5-7-13-8-9-14(17)10-15(13)16(6-2)11-12(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyVXBNWUPHXCTGGF-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol
CID 165497893
3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165492179
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311
3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
CID 165491780
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
2-(aminomethyl)-N-ethyl-5-(2-methylbutan-2-yl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 43293746
4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63701583
2-propylcyclohexane-1,4-diol
CID 89257932
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol (CID 165497912) is 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol is CCCC1CCC(O)CC1N(CC)CC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The InChIKey is VXBNWUPHXCTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-13-8-9-14(17)10-15(13)16(6-2)11-12(3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 165497912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).