1-(2-aminohex-1-enoxy)hex-1-en-2-amine

C12H24N2O — CID 141196870

IUPAC1-(2-aminohex-1-enoxy)hex-1-en-2-amine
SMILESCCCCC(N)=COC=C(N)CCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h9-10H,3-8,13-14H2,1-2H3
InChIKeySONWLDSQVZAFAU-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.98
Rot. Bonds8

About 1-(2-aminohex-1-enoxy)hex-1-en-2-amine

1-(2-aminohex-1-enoxy)hex-1-en-2-amine (PubChem CID 141196870) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-aminohex-1-enoxy)hex-1-en-2-amine.

Molecular Properties

Compound Name1-(2-aminohex-1-enoxy)hex-1-en-2-amine
PubChem CID141196870
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-aminohex-1-enoxy)hex-1-en-2-amine
SMILESCCCCC(N)=COC=C(N)CCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h9-10H,3-8,13-14H2,1-2H3
InChIKeySONWLDSQVZAFAU-UHFFFAOYSA-N
XLogP2.98
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-dodec-3-en-4-amine
CID 21249690
(E)-octadec-9-en-9-amine
CID 146566069
dodec-2-ene-1,3-diamine
CID 173393775
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(E)-dec-1-ene-1,2-diamine
CID 87327630
(E)-1-(ethylaminosulfanyl)hex-1-en-2-amine
CID 163865889
(12Z)-henicosa-3,12-dien-4-amine
CID 173278495
pentanethioamide;hydrochloride
CID 140974365
acetamide;pentanamide
CID 158041283
3-methylhept-2-en-2-amine
CID 87258436
[(E)-2-carbamoylhex-1-enyl] hydrogen sulfate
CID 141051194

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminohex-1-enoxy)hex-1-en-2-amine?
The IUPAC name of 1-(2-aminohex-1-enoxy)hex-1-en-2-amine (CID 141196870) is 1-(2-aminohex-1-enoxy)hex-1-en-2-amine.
What is the SMILES notation for 1-(2-aminohex-1-enoxy)hex-1-en-2-amine?
The canonical SMILES for 1-(2-aminohex-1-enoxy)hex-1-en-2-amine is CCCCC(N)=COC=C(N)CCCC.
What is the InChIKey of 1-(2-aminohex-1-enoxy)hex-1-en-2-amine?
The InChIKey is SONWLDSQVZAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h9-10H,3-8,13-14H2,1-2H3.
What are the key properties of 1-(2-aminohex-1-enoxy)hex-1-en-2-amine?
1-(2-aminohex-1-enoxy)hex-1-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminohex-1-enoxy)hex-1-en-2-amine is sourced from PubChem (CID 141196870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).