(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine

C9H17NO — CID 139382242

IUPAC(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C/C(OC)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8-9(11-4)10(2)3/h5-9H,1-4H3/b6-5-,8-7-
InChIKeyLTOAGQJQRYXXTM-ISTTXYCBSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds4

About (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine

(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine (PubChem CID 139382242) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine
PubChem CID139382242
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C/C(OC)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8-9(11-4)10(2)3/h5-9H,1-4H3/b6-5-,8-7-
InChIKeyLTOAGQJQRYXXTM-ISTTXYCBSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-diethyl-3-methyl-4-prop-2-enoxybut-2-en-1-amine
CID 14658341
2-Dimethylamino-2h-pyran
CID 101690097
(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine
CID 13086959
(E)-6-methoxy-N,N-dimethylhex-4-en-2-yn-1-amine
CID 12735498
N,N-diethyl-3-methyl-4-prop-2-enoxybut-2-en-1-amine
CID 53691533
5-Methoxy-N1,N1,N5,N5-tetramethyl-1,3-pentadiene-1,5-diamine
CID 73165641
(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine
CID 88964387
(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
CID 89360210
2-[(2Z,4Z)-hexa-2,4-dienoxy]-N,N-dimethylethanamine
CID 117986318
2-Methoxy-1-methyl-2,5-dihydropyrrole
CID 123907485
(E)-N,N-dimethyl-4-(2-methylpropoxy)but-2-en-1-amine
CID 137471065
2-methoxy-1-methyl-2H-pyridine
CID 141113178

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine (CID 139382242) is (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine is C/C=C\C=C/C(OC)N(C)C.
What is the InChIKey of (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine?
The InChIKey is LTOAGQJQRYXXTM-ISTTXYCBSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-8-9(11-4)10(2)3/h5-9H,1-4H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine?
(2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-methoxy-N,N-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 139382242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).