2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol

C17H36N2O — CID 102996342

IUPAC2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N(CC)CCCN(CC)CC)C1
InChIInChI=1S/C17H36N2O/c1-5-15-10-11-17(20)16(14-15)19(8-4)13-9-12-18(6-2)7-3/h15-17,20H,5-14H2,1-4H3
InChIKeyYLDKVDUJBAHNOW-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.98
Rot. Bonds9

About 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol

2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol (PubChem CID 102996342) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
PubChem CID102996342
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N(CC)CCCN(CC)CC)C1
InChIInChI=1S/C17H36N2O/c1-5-15-10-11-17(20)16(14-15)19(8-4)13-9-12-18(6-2)7-3/h15-17,20H,5-14H2,1-4H3
InChIKeyYLDKVDUJBAHNOW-UHFFFAOYSA-N
XLogP2.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
CID 102995842
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
CID 102992615
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712306
N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997742
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
CID 63165668
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
CID 165491780
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
1,3-diethylcyclopentane
CID 530396

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol (CID 102996342) is 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(N(CC)CCCN(CC)CC)C1.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol?
The InChIKey is YLDKVDUJBAHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-15-10-11-17(20)16(14-15)19(8-4)13-9-12-18(6-2)7-3/h15-17,20H,5-14H2,1-4H3.
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol?
2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 102996342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).