2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol

C14H31NO — CID 62272431

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-8-14(9-2,11-16)10-15(7)12(3)13(4,5)6/h12,16H,8-11H2,1-7H3
InChIKeyLKYKSYODZUJLQL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds6

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 62272431) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID62272431
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-8-14(9-2,11-16)10-15(7)12(3)13(4,5)6/h12,16H,8-11H2,1-7H3
InChIKeyLKYKSYODZUJLQL-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
CID 62270584
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64826895
1-N-(3,3-dimethylbutan-2-yl)-1-N,2-dimethylbutane-1,2-diamine
CID 79812068
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
CID 62270220
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62271654
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-ethyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]butan-1-ol
CID 81074442
2-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butan-1-ol
CID 62272397
6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
CID 106802317

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol (CID 62272431) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is LKYKSYODZUJLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-14(9-2,11-16)10-15(7)12(3)13(4,5)6/h12,16H,8-11H2,1-7H3.
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 62272431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).