(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane

C11H21N — CID 144790327

IUPAC(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
SMILESC=C/C=C\C(=C/C)NC.CCC
InChIInChI=1S/C8H13N.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h4-7,9H,1H2,2-3H3;3H2,1-2H3/b7-6-,8-5+;
InChIKeyYTAIOUGQURABPR-LAPANCLDSA-N
MW167.30 g/mol
LogP3.27
Rot. Bonds3

About (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane

(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane (PubChem CID 144790327) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane.

Molecular Properties

Compound Name(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
PubChem CID144790327
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
SMILESC=C/C=C\C(=C/C)NC.CCC
InChIInChI=1S/C8H13N.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h4-7,9H,1H2,2-3H3;3H2,1-2H3/b7-6-,8-5+;
InChIKeyYTAIOUGQURABPR-LAPANCLDSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.27
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-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
CID 154957795
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane?
The IUPAC name of (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane (CID 144790327) is (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane.
What is the SMILES notation for (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane?
The canonical SMILES for (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane is C=C/C=C\C(=C/C)NC.CCC.
What is the InChIKey of (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane?
The InChIKey is YTAIOUGQURABPR-LAPANCLDSA-N. The full InChI is InChI=1S/C8H13N.C3H8/c1-4-6-7-8(5-2)9-3;1-3-2/h4-7,9H,1H2,2-3H3;3H2,1-2H3/b7-6-,8-5+;.
What are the key properties of (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane?
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane has a molecular weight of 167.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane is sourced from PubChem (CID 144790327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).