1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine

C18H38N2O3 — CID 70436122

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1.CC(O)N(C(C)O)C(C)O
InChIInChI=1S/C12H23N.C6H15NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(8)7(5(2)9)6(3)10/h11-13H,1-10H2;4-6,8-10H,1-3H3
InChIKeyHFXAXZOZIBEXNS-UHFFFAOYSA-N
MW330.51 g/mol
LogP2.54
Rot. Bonds5

About 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine

1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine (PubChem CID 70436122) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine
PubChem CID70436122
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1.CC(O)N(C(C)O)C(C)O
InChIInChI=1S/C12H23N.C6H15NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(8)7(5(2)9)6(3)10/h11-13H,1-10H2;4-6,8-10H,1-3H3
InChIKeyHFXAXZOZIBEXNS-UHFFFAOYSA-N
XLogP2.54
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003
1-[(cyclopentylamino)-methylamino]ethanol
CID 121330481
1-(cyclopentylamino)ethanol
CID 18784157
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
N-propan-2-ylcycloheptanamine
CID 42562651
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
CID 83999401
tris(N-cyclohexylcyclohexanamine);phosphoric acid;propane-1,2,3-triol
CID 173214740
CID 173108240
CID 173108240

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine (CID 70436122) is 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine is C1CCC(NC2CCCCC2)CC1.CC(O)N(C(C)O)C(C)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine?
The InChIKey is HFXAXZOZIBEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C6H15NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(8)7(5(2)9)6(3)10/h11-13H,1-10H2;4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine?
1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine has a molecular weight of 330.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine is sourced from PubChem (CID 70436122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).