3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol

C15H32N2O — CID 64825628

IUPAC3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN(C)C1CCC(CC)CC1
InChIInChI=1S/C15H32N2O/c1-4-10-16-14(12-18)11-17(3)15-8-6-13(5-2)7-9-15/h13-16,18H,4-12H2,1-3H3
InChIKeyIHTKYQFWFOWYAL-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds8

About 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol

3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol (PubChem CID 64825628) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
PubChem CID64825628
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN(C)C1CCC(CC)CC1
InChIInChI=1S/C15H32N2O/c1-4-10-16-14(12-18)11-17(3)15-8-6-13(5-2)7-9-15/h13-16,18H,4-12H2,1-3H3
InChIKeyIHTKYQFWFOWYAL-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol (CID 64825628) is 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol is CCCNC(CO)CN(C)C1CCC(CC)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol?
The InChIKey is IHTKYQFWFOWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-10-16-14(12-18)11-17(3)15-8-6-13(5-2)7-9-15/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol?
3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64825628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).