N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine

C12H25NO — CID 103921985

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
SMILESC=C(C)COCCNC(CC)CCC
InChIInChI=1S/C12H25NO/c1-5-7-12(6-2)13-8-9-14-10-11(3)4/h12-13H,3,5-10H2,1-2,4H3
InChIKeyJTCZKNNSDDBGMI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine (PubChem CID 103921985) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
PubChem CID103921985
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
SMILESC=C(C)COCCNC(CC)CCC
InChIInChI=1S/C12H25NO/c1-5-7-12(6-2)13-8-9-14-10-11(3)4/h12-13H,3,5-10H2,1-2,4H3
InChIKeyJTCZKNNSDDBGMI-UHFFFAOYSA-N
XLogP2.75
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 ≤ 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

6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
CID 146259276
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
CID 166111982
(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 62331544
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine (CID 103921985) is N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine is C=C(C)COCCNC(CC)CCC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine?
The InChIKey is JTCZKNNSDDBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-12(6-2)13-8-9-14-10-11(3)4/h12-13H,3,5-10H2,1-2,4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine is sourced from PubChem (CID 103921985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).