(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane

C10H19N — CID 143049529

IUPAC(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
SMILESC.C=C/C=C\C(=C/C)NCC
InChIInChI=1S/C9H15N.CH4/c1-4-7-8-9(5-2)10-6-3;/h4-5,7-8,10H,1,6H2,2-3H3;1H4/b8-7-,9-5+;
InChIKeyAFXAIXLUJKYSFI-KQWNQWHXSA-N
MW153.27 g/mol
LogP2.88
Rot. Bonds4

About (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane

(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane (PubChem CID 143049529) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane.

Molecular Properties

Compound Name(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
PubChem CID143049529
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
SMILESC.C=C/C=C\C(=C/C)NCC
InChIInChI=1S/C9H15N.CH4/c1-4-7-8-9(5-2)10-6-3;/h4-5,7-8,10H,1,6H2,2-3H3;1H4/b8-7-,9-5+;
InChIKeyAFXAIXLUJKYSFI-KQWNQWHXSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine
CID 143217992
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
CID 154957795
(2E,4Z)-N-ethyl-6,7-dimethylocta-2,4,6-trien-3-amine;propan-2-one
CID 143458427
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane?
The IUPAC name of (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane (CID 143049529) is (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane.
What is the SMILES notation for (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane?
The canonical SMILES for (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane is C.C=C/C=C\C(=C/C)NCC.
What is the InChIKey of (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane?
The InChIKey is AFXAIXLUJKYSFI-KQWNQWHXSA-N. The full InChI is InChI=1S/C9H15N.CH4/c1-4-7-8-9(5-2)10-6-3;/h4-5,7-8,10H,1,6H2,2-3H3;1H4/b8-7-,9-5+;.
What are the key properties of (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane?
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane has a molecular weight of 153.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane is sourced from PubChem (CID 143049529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).