3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol

C17H35NO — CID 106284636

IUPAC3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H35NO/c1-5-15(6-2)17(19)12-18-16-9-7-8-14(11-16)10-13(3)4/h13-19H,5-12H2,1-4H3
InChIKeyHKWORKCSRVMQON-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.98
Rot. Bonds8

About 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol

3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol (PubChem CID 106284636) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
PubChem CID106284636
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNC1CCCC(CC(C)C)C1
InChIInChI=1S/C17H35NO/c1-5-15(6-2)17(19)12-18-16-9-7-8-14(11-16)10-13(3)4/h13-19H,5-12H2,1-4H3
InChIKeyHKWORKCSRVMQON-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
[2-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclopentyl]methanol
CID 107428559
2,2-dimethyl-3-[[3-(2-methylpropyl)cyclohexyl]amino]propanamide
CID 114078633
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol (CID 106284636) is 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol is CCC(CC)C(O)CNC1CCCC(CC(C)C)C1.
What is the InChIKey of 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol?
The InChIKey is HKWORKCSRVMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-15(6-2)17(19)12-18-16-9-7-8-14(11-16)10-13(3)4/h13-19H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol?
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol has a molecular weight of 269.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol is sourced from PubChem (CID 106284636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).