(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine

C8H15NO — CID 129171438

IUPAC(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine
SMILESCC/C(=C\C=C/N)COC
InChIInChI=1S/C8H15NO/c1-3-8(7-10-2)5-4-6-9/h4-6H,3,7,9H2,1-2H3/b6-4-,8-5+
InChIKeyWPZSZWSTRVDPKP-QXMOYCCXSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds4

About (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine

(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine (PubChem CID 129171438) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine
PubChem CID129171438
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine
SMILESCC/C(=C\C=C/N)COC
InChIInChI=1S/C8H15NO/c1-3-8(7-10-2)5-4-6-9/h4-6H,3,7,9H2,1-2H3/b6-4-,8-5+
InChIKeyWPZSZWSTRVDPKP-QXMOYCCXSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-5-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 88961656
(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
CID 89020336
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
CID 89131837
(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
CID 89132007
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89204078
(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
CID 89208979
(1E,3E)-4-[[(1Z)-buta-1,3-dienoxy]methyl]-6-methylhepta-1,3,5-trien-1-amine
CID 89214840
(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
CID 89364330
(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine
CID 89400041
(4Z,6Z)-8-methoxynona-1,4,6,8-tetraen-1-amine
CID 90126526
(E)-[(3Z)-3-[(E)-but-2-enylidene]oxolan-2-ylidene]methanamine
CID 118048230

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine (CID 129171438) is (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine is CC/C(=C\C=C/N)COC.
What is the InChIKey of (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine?
The InChIKey is WPZSZWSTRVDPKP-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(7-10-2)5-4-6-9/h4-6H,3,7,9H2,1-2H3/b6-4-,8-5+.
What are the key properties of (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine?
(1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-(methoxymethyl)hexa-1,3-dien-1-amine is sourced from PubChem (CID 129171438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).