N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine

C12H25NO — CID 139904426

IUPACN-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
SMILESC=C(C)COCCCCCCNCC
InChIInChI=1S/C12H25NO/c1-4-13-9-7-5-6-8-10-14-11-12(2)3/h13H,2,4-11H2,1,3H3
InChIKeyMTYFYXCXPAOLIA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

About N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine

N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine (PubChem CID 139904426) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
PubChem CID139904426
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
SMILESC=C(C)COCCCCCCNCC
InChIInChI=1S/C12H25NO/c1-4-13-9-7-5-6-8-10-14-11-12(2)3/h13H,2,4-11H2,1,3H3
InChIKeyMTYFYXCXPAOLIA-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Methylprop-2-enoxy)hexan-1-amine
CID 88851944
6-methoxy-N-(2-methylprop-2-enyl)hexan-1-amine
CID 88906819
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-buta-1,3-dien-2-yl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139438023
N-methyl-9-(2-methylprop-2-enoxy)nonan-1-amine
CID 169647721
3-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56829999
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
N-ethyl-6-prop-2-enoxyhexan-1-amine
CID 64292139
N-(2-methylpropyl)-6-prop-2-enoxyhexan-1-amine
CID 64292341
N-propan-2-yl-6-prop-2-enoxyhexan-1-amine
CID 64292342
N-methyl-6-prop-2-enoxyhexan-1-amine
CID 64292343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine?
The IUPAC name of N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine (CID 139904426) is N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine.
What is the SMILES notation for N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine?
The canonical SMILES for N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine is C=C(C)COCCCCCCNCC.
What is the InChIKey of N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine?
The InChIKey is MTYFYXCXPAOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13-9-7-5-6-8-10-14-11-12(2)3/h13H,2,4-11H2,1,3H3.
What are the key properties of N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine?
N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine is sourced from PubChem (CID 139904426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).