1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine

C11H21NO — CID 165439411

IUPAC1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine
SMILESC#CC(C)(COC)NCCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-9-12-11(3,6-2)10-13-4/h2,12H,5,7-10H2,1,3-4H3
InChIKeyLLRDMSPSZBVAEH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds7

About 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine

1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine (PubChem CID 165439411) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine
PubChem CID165439411
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine
SMILESC#CC(C)(COC)NCCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-9-12-11(3,6-2)10-13-4/h2,12H,5,7-10H2,1,3-4H3
InChIKeyLLRDMSPSZBVAEH-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
N-tert-butylnonadecan-1-amine
CID 87846739
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
2-methyl-2-(pentylamino)propanenitrile
CID 28702643
N-(2-phenylbut-3-yn-2-yl)octan-1-amine
CID 14715246
1,1-bis(octylamino)ethanol
CID 87347011
azane;4-methoxy-3,3-dimethylbut-1-yne
CID 155369377
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine (CID 165439411) is 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine is C#CC(C)(COC)NCCCCC.
What is the InChIKey of 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine?
The InChIKey is LLRDMSPSZBVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-8-9-12-11(3,6-2)10-13-4/h2,12H,5,7-10H2,1,3-4H3.
What are the key properties of 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine?
1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-pentylbut-3-yn-2-amine is sourced from PubChem (CID 165439411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).