1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol

C14H30N2O — CID 61437207

IUPAC1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-15-10-14(17)11-16(3)13-7-5-12(2)6-8-13/h12-15,17H,4-11H2,1-3H3
InChIKeyYWUFCBSCUMTRTB-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol

1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol (PubChem CID 61437207) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
PubChem CID61437207
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-15-10-14(17)11-16(3)13-7-5-12(2)6-8-13/h12-15,17H,4-11H2,1-3H3
InChIKeyYWUFCBSCUMTRTB-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
CID 115475082
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol (CID 61437207) is 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(C)C1CCC(C)CC1.
What is the InChIKey of 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is YWUFCBSCUMTRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-9-15-10-14(17)11-16(3)13-7-5-12(2)6-8-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol?
1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 61437207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).