1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol

C16H32N2O2 — CID 62977053

IUPAC1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCCN(C)C2CC2)CC1
InChIInChI=1S/C16H32N2O2/c1-13-3-7-16(8-4-13)20-12-15(19)11-17-9-10-18(2)14-5-6-14/h13-17,19H,3-12H2,1-2H3
InChIKeySSYFKUOQFKSQDP-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds9

About 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol

1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 62977053) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID62977053
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCCN(C)C2CC2)CC1
InChIInChI=1S/C16H32N2O2/c1-13-3-7-16(8-4-13)20-12-15(19)11-17-9-10-18(2)14-5-6-14/h13-17,19H,3-12H2,1-2H3
InChIKeySSYFKUOQFKSQDP-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-hexoxypropan-2-ol
CID 55142384
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol
CID 63931748
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 62977053) is 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(OCC(O)CNCCN(C)C2CC2)CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is SSYFKUOQFKSQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13-3-7-16(8-4-13)20-12-15(19)11-17-9-10-18(2)14-5-6-14/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 62977053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).