[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol

C17H35N3O — CID 102998353

IUPAC[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol
SMILESCCN(CCCN(C)C)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-20(12-6-11-19(2)3)16-7-5-10-17(13-16,14-21)18-15-8-9-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyJQMKKNOFYRBNGC-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds9

About [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol

[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol (PubChem CID 102998353) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol
PubChem CID102998353
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol
SMILESCCN(CCCN(C)C)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-20(12-6-11-19(2)3)16-7-5-10-17(13-16,14-21)18-15-8-9-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyJQMKKNOFYRBNGC-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656594
[3-[butyl(ethyl)amino]-1-(ethylamino)cyclohexyl]methanol
CID 79633810
[1-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]cyclohexyl]methanol
CID 79635541
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
CID 79640161
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[3-(diethylamino)propyl-ethylamino]-1-(ethylamino)cyclopentyl]methanol
CID 102998427
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79636571
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol (CID 102998353) is [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol is CCN(CCCN(C)C)C1CCCC(CO)(NC2CC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol?
The InChIKey is JQMKKNOFYRBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-20(12-6-11-19(2)3)16-7-5-10-17(13-16,14-21)18-15-8-9-15/h15-16,18,21H,4-14H2,1-3H3.
What are the key properties of [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol?
[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 102998353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).