N-(2-methylpropoxy)ethenamine

C6H13NO — CID 57072177

IUPACN-(2-methylpropoxy)ethenamine
SMILESC=CNOCC(C)C
InChIInChI=1S/C6H13NO/c1-4-7-8-5-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyYHRSRRBHNLCHGA-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.31
Rot. Bonds4

About N-(2-methylpropoxy)ethenamine

N-(2-methylpropoxy)ethenamine (PubChem CID 57072177) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(2-methylpropoxy)ethenamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)ethenamine
PubChem CID57072177
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-(2-methylpropoxy)ethenamine
SMILESC=CNOCC(C)C
InChIInChI=1S/C6H13NO/c1-4-7-8-5-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyYHRSRRBHNLCHGA-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)hex-5-en-2-amine
CID 104655833
N-(2-methylpropoxy)pent-1-en-1-amine
CID 57035049
1-ethenoxy-2-methylpropane;methanol
CID 174857186
N-(2-methylpropoxy)butan-2-amine
CID 82709503
N-(2-methylpropoxy)hept-6-en-1-amine
CID 107007042
N-(2-chloroethoxy)ethenamine
CID 57299495
N-[2-(phosphanylamino)propoxy]formamide
CID 144814967
N-(3-methylpentan-3-yloxy)ethenamine
CID 57150519
1-ethenoxy-4-methylpentane
CID 22665202
N-(2-ethenoxyethoxy)methanamine
CID 59596547
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
bis(2-methylpropoxy)methylsilane
CID 123767341

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)ethenamine?
The IUPAC name of N-(2-methylpropoxy)ethenamine (CID 57072177) is N-(2-methylpropoxy)ethenamine.
What is the SMILES notation for N-(2-methylpropoxy)ethenamine?
The canonical SMILES for N-(2-methylpropoxy)ethenamine is C=CNOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)ethenamine?
The InChIKey is YHRSRRBHNLCHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-7-8-5-6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-(2-methylpropoxy)ethenamine?
N-(2-methylpropoxy)ethenamine has a molecular weight of 115.18 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)ethenamine is sourced from PubChem (CID 57072177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).