3-(2,2-dimethylbutylamino)butan-2-ol

C10H23NO — CID 103461276

IUPAC3-(2,2-dimethylbutylamino)butan-2-ol
SMILESCCC(C)(C)CNC(C)C(C)O
InChIInChI=1S/C10H23NO/c1-6-10(4,5)7-11-8(2)9(3)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyLBCACKYHFROXRA-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds5

About 3-(2,2-dimethylbutylamino)butan-2-ol

3-(2,2-dimethylbutylamino)butan-2-ol (PubChem CID 103461276) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(2,2-dimethylbutylamino)butan-2-ol.

Molecular Properties

Compound Name3-(2,2-dimethylbutylamino)butan-2-ol
PubChem CID103461276
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(2,2-dimethylbutylamino)butan-2-ol
SMILESCCC(C)(C)CNC(C)C(C)O
InChIInChI=1S/C10H23NO/c1-6-10(4,5)7-11-8(2)9(3)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyLBCACKYHFROXRA-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 157097259
CID 157097259
3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176034
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 102869912
5,5-dimethyl-3-propan-2-ylheptan-2-ol
CID 156689554
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569
[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
CID 134851214
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
CID 103461240

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutylamino)butan-2-ol?
The IUPAC name of 3-(2,2-dimethylbutylamino)butan-2-ol (CID 103461276) is 3-(2,2-dimethylbutylamino)butan-2-ol.
What is the SMILES notation for 3-(2,2-dimethylbutylamino)butan-2-ol?
The canonical SMILES for 3-(2,2-dimethylbutylamino)butan-2-ol is CCC(C)(C)CNC(C)C(C)O.
What is the InChIKey of 3-(2,2-dimethylbutylamino)butan-2-ol?
The InChIKey is LBCACKYHFROXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-10(4,5)7-11-8(2)9(3)12/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 3-(2,2-dimethylbutylamino)butan-2-ol?
3-(2,2-dimethylbutylamino)butan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutylamino)butan-2-ol is sourced from PubChem (CID 103461276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).