N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane

C14H29NO — CID 143804228

IUPACN,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
SMILESC/C=C\C=C(\C)COCCCN(C)C.CC
InChIInChI=1S/C12H23NO.C2H6/c1-5-6-8-12(2)11-14-10-7-9-13(3)4;1-2/h5-6,8H,7,9-11H2,1-4H3;1-2H3/b6-5-,12-8-;
InChIKeyDOMFHTRWCSGIDB-ZJOSAXLGSA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds7

About N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane

N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane (PubChem CID 143804228) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
PubChem CID143804228
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
SMILESC/C=C\C=C(\C)COCCCN(C)C.CC
InChIInChI=1S/C12H23NO.C2H6/c1-5-6-8-12(2)11-14-10-7-9-13(3)4;1-2/h5-6,8H,7,9-11H2,1-4H3;1-2H3/b6-5-,12-8-;
InChIKeyDOMFHTRWCSGIDB-ZJOSAXLGSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(dimethylamino)pentoxy]propan-2-one;ethane
CID 142389541
1-[5-(dimethylamino)pentoxy]propan-2-one
CID 118445875
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
(E)-1-butoxy-2-methylbut-2-ene
CID 5366207
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505
(2Z,4E)-5-[2-(5-pentoxypentoxy)ethoxymethyl]octa-2,4-diene
CID 146358244
CID 59347745
CID 59347745
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane (CID 143804228) is N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane is C/C=C\C=C(\C)COCCCN(C)C.CC.
What is the InChIKey of N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane?
The InChIKey is DOMFHTRWCSGIDB-ZJOSAXLGSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-5-6-8-12(2)11-14-10-7-9-13(3)4;1-2/h5-6,8H,7,9-11H2,1-4H3;1-2H3/b6-5-,12-8-;.
What are the key properties of N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane?
N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane is sourced from PubChem (CID 143804228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).