N-(2-ethenoxyethyl)-2-methylheptan-2-amine

C12H25NO — CID 57009647

IUPACN-(2-ethenoxyethyl)-2-methylheptan-2-amine
SMILESC=COCCNC(C)(C)CCCCC
InChIInChI=1S/C12H25NO/c1-5-7-8-9-12(3,4)13-10-11-14-6-2/h6,13H,2,5,7-11H2,1,3-4H3
InChIKeyAMQXECAXEPXHBH-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.10
Rot. Bonds9

About N-(2-ethenoxyethyl)-2-methylheptan-2-amine

N-(2-ethenoxyethyl)-2-methylheptan-2-amine (PubChem CID 57009647) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-2-methylheptan-2-amine.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-2-methylheptan-2-amine
PubChem CID57009647
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-ethenoxyethyl)-2-methylheptan-2-amine
SMILESC=COCCNC(C)(C)CCCCC
InChIInChI=1S/C12H25NO/c1-5-7-8-9-12(3,4)13-10-11-14-6-2/h6,13H,2,5,7-11H2,1,3-4H3
InChIKeyAMQXECAXEPXHBH-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-2-methylheptan-2-amine?
The IUPAC name of N-(2-ethenoxyethyl)-2-methylheptan-2-amine (CID 57009647) is N-(2-ethenoxyethyl)-2-methylheptan-2-amine.
What is the SMILES notation for N-(2-ethenoxyethyl)-2-methylheptan-2-amine?
The canonical SMILES for N-(2-ethenoxyethyl)-2-methylheptan-2-amine is C=COCCNC(C)(C)CCCCC.
What is the InChIKey of N-(2-ethenoxyethyl)-2-methylheptan-2-amine?
The InChIKey is AMQXECAXEPXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-9-12(3,4)13-10-11-14-6-2/h6,13H,2,5,7-11H2,1,3-4H3.
What are the key properties of N-(2-ethenoxyethyl)-2-methylheptan-2-amine?
N-(2-ethenoxyethyl)-2-methylheptan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-2-methylheptan-2-amine is sourced from PubChem (CID 57009647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).