2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol

C13H30N2O — CID 106809263

IUPAC2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol
SMILESCCC(CC)N(C)CCCC(N)(CC)CO
InChIInChI=1S/C13H30N2O/c1-5-12(6-2)15(4)10-8-9-13(14,7-3)11-16/h12,16H,5-11,14H2,1-4H3
InChIKeyWGHWBNQYUNILBM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.99
Rot. Bonds9

About 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol

2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol (PubChem CID 106809263) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol
PubChem CID106809263
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol
SMILESCCC(CC)N(C)CCCC(N)(CC)CO
InChIInChI=1S/C13H30N2O/c1-5-12(6-2)15(4)10-8-9-13(14,7-3)11-16/h12,16H,5-11,14H2,1-4H3
InChIKeyWGHWBNQYUNILBM-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64825656
2-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64826484
2-Amino-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826682
2-Amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64826881
2-Amino-5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64826884
2-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826889
2-Amino-2-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentan-1-ol
CID 65545418
2-Ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
CID 106809336
2-Ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809337
2-Amino-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809338
2-Ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809365
2-Ethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
CID 106809367

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol (CID 106809263) is 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol is CCC(CC)N(C)CCCC(N)(CC)CO.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol?
The InChIKey is WGHWBNQYUNILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-12(6-2)15(4)10-8-9-13(14,7-3)11-16/h12,16H,5-11,14H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol?
2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol is sourced from PubChem (CID 106809263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).