(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine

C11H21NO2 — CID 167217123

IUPAC(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine
SMILESC/C=C\C(OCOC)=C(/C)NCCC
InChIInChI=1S/C11H21NO2/c1-5-7-11(14-9-13-4)10(3)12-8-6-2/h5,7,12H,6,8-9H2,1-4H3/b7-5-,11-10-
InChIKeyLFNZBZWVSWBFMT-YLRXWAGNSA-N
MW199.29 g/mol
LogP2.41
Rot. Bonds7

About (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine

(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine (PubChem CID 167217123) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine
PubChem CID167217123
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine
SMILESC/C=C\C(OCOC)=C(/C)NCCC
InChIInChI=1S/C11H21NO2/c1-5-7-11(14-9-13-4)10(3)12-8-6-2/h5,7,12H,6,8-9H2,1-4H3/b7-5-,11-10-
InChIKeyLFNZBZWVSWBFMT-YLRXWAGNSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-5-methylhepta-2,4-diene
CID 91556490
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(4Z)-3-methylidene-N-propylhexa-1,4-dien-2-amine
CID 88586508
(E)-3-propoxy-N-propylbut-2-en-2-amine
CID 145202328
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
CID 143146513
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
CID 87330833
carbamothioic S-acid;O-methyl carbamothioate;N-propylacetamide
CID 88780943
(4Z)-2,3-dimethylhexa-2,4-diene;ethane;ethene;methane;N-propylpropanamide
CID 145022108
methyl N-[4-oxo-4-(propylamino)but-2-enoyl]carbamate
CID 58159323
3-amino-2-methyl-N-propylbut-2-enamide
CID 77255889
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine (CID 167217123) is (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine is C/C=C\C(OCOC)=C(/C)NCCC.
What is the InChIKey of (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine?
The InChIKey is LFNZBZWVSWBFMT-YLRXWAGNSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-11(14-9-13-4)10(3)12-8-6-2/h5,7,12H,6,8-9H2,1-4H3/b7-5-,11-10-.
What are the key properties of (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine?
(2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine has a molecular weight of 199.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(methoxymethoxy)-N-propylhexa-2,4-dien-2-amine is sourced from PubChem (CID 167217123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).