1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol

C11H25NO — CID 115720483

IUPAC1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(C)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-8(2)10(13)7-12-9(3)11(4,5)6/h8-10,12-13H,7H2,1-6H3
InChIKeyXFMMYARECHFAIQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds4

About 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol

1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol (PubChem CID 115720483) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
PubChem CID115720483
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(C)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-8(2)10(13)7-12-9(3)11(4,5)6/h8-10,12-13H,7H2,1-6H3
InChIKeyXFMMYARECHFAIQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454
N-but-2-ynyl-3,3-dimethylbutan-2-amine
CID 115647758
1-(iodoamino)-3-methylbutan-2-ol
CID 88639475
N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
CID 87166013
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
3,3-dimethyl-N-prop-2-ynylbutan-2-amine
CID 115627436
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol (CID 115720483) is 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol is CC(C)C(O)CNC(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol?
The InChIKey is XFMMYARECHFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-8(2)10(13)7-12-9(3)11(4,5)6/h8-10,12-13H,7H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol?
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 115720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).