[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol

C14H30N2O — CID 61048422

IUPAC[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-16(5-2)11-10-15-14(12-17)8-6-13(3)7-9-14/h13,15,17H,4-12H2,1-3H3
InChIKeyCQEWNZMJUHCPSB-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol

[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol (PubChem CID 61048422) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol
PubChem CID61048422
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-16(5-2)11-10-15-14(12-17)8-6-13(3)7-9-14/h13,15,17H,4-12H2,1-3H3
InChIKeyCQEWNZMJUHCPSB-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317
{1-[(2,2-Difluoroethyl)amino]-4-methylcyclohexyl}methanol
CID 62552847
[4-Methyl-1-(3,3,3-trifluoropropylamino)cyclohexyl]methanol
CID 64555213
[1-(Propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754508
[1-(Butan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754509
[1-[2-(Diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754510
[1-(1,4-Diazepan-1-yl)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754511
[1-(Ethylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754694
[1-Piperazin-1-yl-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754695
[1-[2-(Dimethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754697

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol (CID 61048422) is [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol is CCN(CC)CCNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol?
The InChIKey is CQEWNZMJUHCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-16(5-2)11-10-15-14(12-17)8-6-13(3)7-9-14/h13,15,17H,4-12H2,1-3H3.
What are the key properties of [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol?
[1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 61048422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).