1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol

C13H30N2O — CID 62337553

IUPAC1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
SMILESCCCC(C)(CNCC)CN(C)CC(C)O
InChIInChI=1S/C13H30N2O/c1-6-8-13(4,10-14-7-2)11-15(5)9-12(3)16/h12,14,16H,6-11H2,1-5H3
InChIKeyGHWNTNLTFCIBEL-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds9

About 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol

1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol (PubChem CID 62337553) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
PubChem CID62337553
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
SMILESCCCC(C)(CNCC)CN(C)CC(C)O
InChIInChI=1S/C13H30N2O/c1-6-8-13(4,10-14-7-2)11-15(5)9-12(3)16/h12,14,16H,6-11H2,1-5H3
InChIKeyGHWNTNLTFCIBEL-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3161650
1-(5-Methylhexylamino)propan-2-ol
CID 115325577
1-(3-Fluoropropylamino)-4,4-dimethylpentan-2-ol
CID 107151915
1-(2-Fluoroethylamino)-4,4-dimethylpentan-2-ol
CID 107152202
2-[2,2-Difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
CID 107486484
2-[2,2-Difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 107486518
2-[2,2-Difluoroethyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 107486614
2-[2,2-Difluoroethyl-[2-methyl-2-(propylaminomethyl)pentyl]amino]ethanol
CID 107486621
2-[2,2-Difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol
CID 107486622
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol
CID 107486710
2-[[4,4-Dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486790
2-[[2-Methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486836

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol (CID 62337553) is 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol is CCCC(C)(CNCC)CN(C)CC(C)O.
What is the InChIKey of 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol?
The InChIKey is GHWNTNLTFCIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-13(4,10-14-7-2)11-15(5)9-12(3)16/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol?
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62337553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).