2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol

C10H21NO — CID 79178435

IUPAC2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
SMILESC=C(C)C(C)(O)CNCC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-11-7-10(5,12)9(3)4/h8,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyXSEZOZGGYUBMQZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds5

About 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol

2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol (PubChem CID 79178435) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
PubChem CID79178435
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
SMILESC=C(C)C(C)(O)CNCC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-11-7-10(5,12)9(3)4/h8,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyXSEZOZGGYUBMQZ-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
2-methyl-1-(2-methylpropylamino)hex-5-yn-2-ol
CID 66037293
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
CID 66037290
N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 79619526
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
CID 114997755
N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 90693436
CID 175939227
CID 175939227

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol?
The IUPAC name of 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol (CID 79178435) is 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol is C=C(C)C(C)(O)CNCC(C)C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol?
The InChIKey is XSEZOZGGYUBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-11-7-10(5,12)9(3)4/h8,11-12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol?
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol is sourced from PubChem (CID 79178435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).