1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol

C15H32N2O — CID 114094874

IUPAC1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCC1(C)CCCCC1
InChIInChI=1S/C15H32N2O/c1-4-17(5-2)12-14(18)11-16-13-15(3)9-7-6-8-10-15/h14,16,18H,4-13H2,1-3H3
InChIKeyFBJDSVNSRHKCGU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds8

About 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol

1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol (PubChem CID 114094874) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol
PubChem CID114094874
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCC1(C)CCCCC1
InChIInChI=1S/C15H32N2O/c1-4-17(5-2)12-14(18)11-16-13-15(3)9-7-6-8-10-15/h14,16,18H,4-13H2,1-3H3
InChIKeyFBJDSVNSRHKCGU-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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Related Compounds

1-(diethylamino)-3-[(1-ethylcyclobutyl)methylamino]propan-2-ol
CID 114108015
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132935
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol (CID 114094874) is 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCC1(C)CCCCC1.
What is the InChIKey of 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol?
The InChIKey is FBJDSVNSRHKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-17(5-2)12-14(18)11-16-13-15(3)9-7-6-8-10-15/h14,16,18H,4-13H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-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 1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol is sourced from PubChem (CID 114094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).