N-(3-methylpentan-3-yloxy)ethenamine

C8H17NO — CID 57150519

IUPACN-(3-methylpentan-3-yloxy)ethenamine
SMILESC=CNOC(C)(CC)CC
InChIInChI=1S/C8H17NO/c1-5-8(4,6-2)10-9-7-3/h7,9H,3,5-6H2,1-2,4H3
InChIKeyPIWFFIAADNHWMQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.23
Rot. Bonds5

About N-(3-methylpentan-3-yloxy)ethenamine

N-(3-methylpentan-3-yloxy)ethenamine (PubChem CID 57150519) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-methylpentan-3-yloxy)ethenamine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yloxy)ethenamine
PubChem CID57150519
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-methylpentan-3-yloxy)ethenamine
SMILESC=CNOC(C)(CC)CC
InChIInChI=1S/C8H17NO/c1-5-8(4,6-2)10-9-7-3/h7,9H,3,5-6H2,1-2,4H3
InChIKeyPIWFFIAADNHWMQ-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine
CID 163471999
N-(2-methylpropoxy)ethenamine
CID 57072177
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740
N,N,2-trimethyl-2-silyloxybutan-1-amine
CID 123527794
2-(3-methylhex-5-en-3-yloxymethyl)oxirane
CID 21263243
2-(ethenylamino)-2-methylbutan-1-ol
CID 164540585
(3-methylpentan-3-yloxyamino) 2,2-dimethylbutanoate
CID 123605163
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
N,3-dimethylpent-1-en-3-amine
CID 123650218
3,3-difluoro-2-methoxypent-1-ene
CID 143721934
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
CID 126621627

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yloxy)ethenamine?
The IUPAC name of N-(3-methylpentan-3-yloxy)ethenamine (CID 57150519) is N-(3-methylpentan-3-yloxy)ethenamine.
What is the SMILES notation for N-(3-methylpentan-3-yloxy)ethenamine?
The canonical SMILES for N-(3-methylpentan-3-yloxy)ethenamine is C=CNOC(C)(CC)CC.
What is the InChIKey of N-(3-methylpentan-3-yloxy)ethenamine?
The InChIKey is PIWFFIAADNHWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(4,6-2)10-9-7-3/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of N-(3-methylpentan-3-yloxy)ethenamine?
N-(3-methylpentan-3-yloxy)ethenamine has a molecular weight of 143.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yloxy)ethenamine is sourced from PubChem (CID 57150519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).