(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine

C12H24N2O — CID 134406227

IUPAC(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine
SMILESCCCNCC(C)O/C(C)=C/C=C(/C)N
InChIInChI=1S/C12H24N2O/c1-5-8-14-9-12(4)15-11(3)7-6-10(2)13/h6-7,12,14H,5,8-9,13H2,1-4H3/b10-6-,11-7+
InChIKeyYYWWYHRTLYVUKJ-NAKBGQTNSA-N
MW212.34 g/mol
LogP2.16
Rot. Bonds7

About (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine

(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine (PubChem CID 134406227) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine
PubChem CID134406227
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine
SMILESCCCNCC(C)O/C(C)=C/C=C(/C)N
InChIInChI=1S/C12H24N2O/c1-5-8-14-9-12(4)15-11(3)7-6-10(2)13/h6-7,12,14H,5,8-9,13H2,1-4H3/b10-6-,11-7+
InChIKeyYYWWYHRTLYVUKJ-NAKBGQTNSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-5-[2-fluoro-3-(methylamino)propoxy]-N-methylhexa-2,4-dien-2-amine
CID 134406413
(3E)-4-ethoxy-N-ethylpenta-1,3-dien-2-amine
CID 88914752
(2E,4E)-2-N-(2-propan-2-yloxypropyl)hepta-2,4,6-triene-2,5-diamine
CID 89073971
(2E,4E)-2-N-[(2R)-2-methoxypropyl]-2-N-methylhepta-2,4,6-triene-2,5-diamine
CID 89153975
(3Z,5E)-2-N-(2-methoxyethyl)hepta-1,3,5-triene-2,5-diamine
CID 122518402
N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
CID 123924894
(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine
CID 134406326
(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine
CID 134406400
(1E,3Z)-1-[1-(methylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine
CID 134406438
(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine
CID 134406440
N-ethyl-3-[(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-yl]oxybutan-1-amine
CID 134406474
N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
CID 134406517

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine (CID 134406227) is (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine is CCCNCC(C)O/C(C)=C/C=C(/C)N.
What is the InChIKey of (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine?
The InChIKey is YYWWYHRTLYVUKJ-NAKBGQTNSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-8-14-9-12(4)15-11(3)7-6-10(2)13/h6-7,12,14H,5,8-9,13H2,1-4H3/b10-6-,11-7+.
What are the key properties of (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine?
(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine is sourced from PubChem (CID 134406227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).