4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol

C14H30N2O — CID 106594550

IUPAC4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
SMILESCC(C)N(C)CCCCNC1CCC(O)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)16(3)11-5-4-10-15-13-6-8-14(17)9-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyIGPJITKLBUQHKO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

About 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol

4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol (PubChem CID 106594550) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
PubChem CID106594550
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
SMILESCC(C)N(C)CCCCNC1CCC(O)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)16(3)11-5-4-10-15-13-6-8-14(17)9-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyIGPJITKLBUQHKO-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
1-cyclopropyl-3-[4-[methyl(propan-2-yl)amino]butyl]thiourea
CID 115594319
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol?
The IUPAC name of 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol (CID 106594550) is 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol is CC(C)N(C)CCCCNC1CCC(O)CC1.
What is the InChIKey of 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol?
The InChIKey is IGPJITKLBUQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)16(3)11-5-4-10-15-13-6-8-14(17)9-7-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol?
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol is sourced from PubChem (CID 106594550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).