(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine

C12H19NO — CID 142213470

IUPAC(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(=C/C)NC(=C)COC
InChIInChI=1S/C12H19NO/c1-6-12(8-7-10(2)3)13-11(4)9-14-5/h6-8,13H,2,4,9H2,1,3,5H3/b8-7-,12-6+
InChIKeyBTOACXFCGHUWAD-HRZQEMGZSA-N
MW193.29 g/mol
LogP2.77
Rot. Bonds6

About (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine

(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine (PubChem CID 142213470) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine
PubChem CID142213470
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(=C/C)NC(=C)COC
InChIInChI=1S/C12H19NO/c1-6-12(8-7-10(2)3)13-11(4)9-14-5/h6-8,13H,2,4,9H2,1,3,5H3/b8-7-,12-6+
InChIKeyBTOACXFCGHUWAD-HRZQEMGZSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine (CID 142213470) is (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine is C=C(C)/C=C\C(=C/C)NC(=C)COC.
What is the InChIKey of (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine?
The InChIKey is BTOACXFCGHUWAD-HRZQEMGZSA-N. The full InChI is InChI=1S/C12H19NO/c1-6-12(8-7-10(2)3)13-11(4)9-14-5/h6-8,13H,2,4,9H2,1,3,5H3/b8-7-,12-6+.
What are the key properties of (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine?
(2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(3-methoxyprop-1-en-2-yl)-6-methylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 142213470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).