2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol

C10H19NO — CID 66037290

IUPAC2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
SMILESC#CCC(C)(O)CNCC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(4,12)8-11-7-9(2)3/h1,9,11-12H,6-8H2,2-4H3
InChIKeyQVLCIXNKSFGTSO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol

2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol (PubChem CID 66037290) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
PubChem CID66037290
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol
SMILESC#CCC(C)(O)CNCC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(4,12)8-11-7-9(2)3/h1,9,11-12H,6-8H2,2-4H3
InChIKeyQVLCIXNKSFGTSO-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylpropylamino)hex-5-yn-2-ol
CID 66037293
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2,3,3-trimethyl-1-(2-methylpropylamino)butan-2-ol
CID 80559417
2,3-dimethyl-1-(2-methylpropylamino)but-3-en-2-ol
CID 79178435
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 106932260
(3R)-2,3-dimethylhex-5-yn-3-ol
CID 101411316
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
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-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol?
The IUPAC name of 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol (CID 66037290) is 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol is C#CCC(C)(O)CNCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol?
The InChIKey is QVLCIXNKSFGTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(4,12)8-11-7-9(2)3/h1,9,11-12H,6-8H2,2-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol?
2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylamino)pent-4-yn-2-ol is sourced from PubChem (CID 66037290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).