1-(dicyclopropylmethylamino)-2-methylbutan-2-ol

C12H23NO — CID 65108113

IUPAC1-(dicyclopropylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-3-12(2,14)8-13-11(9-4-5-9)10-6-7-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGSCADTMPMHQNNG-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds6

About 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol

1-(dicyclopropylmethylamino)-2-methylbutan-2-ol (PubChem CID 65108113) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-2-methylbutan-2-ol
PubChem CID65108113
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(dicyclopropylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C1CC1)C1CC1
InChIInChI=1S/C12H23NO/c1-3-12(2,14)8-13-11(9-4-5-9)10-6-7-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGSCADTMPMHQNNG-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
1-N-(dicyclopropylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62847502
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628883
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807
2-methyl-1-(thian-4-ylmethylamino)butan-2-ol
CID 114493697
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
2-(dicyclopropylmethylamino)-N-ethylacetamide
CID 43403058
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylbutan-2-ol
CID 65108055
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol (CID 65108113) is 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol?
The InChIKey is GSCADTMPMHQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(2,14)8-13-11(9-4-5-9)10-6-7-10/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol?
1-(dicyclopropylmethylamino)-2-methylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65108113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).