2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol

C11H20N2O2 — CID 138456920

IUPAC2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol
SMILESC=C(N)/C=C(C)\C=C(/COC)NCCO
InChIInChI=1S/C11H20N2O2/c1-9(6-10(2)12)7-11(8-15-3)13-4-5-14/h6-7,13-14H,2,4-5,8,12H2,1,3H3/b9-6-,11-7+
InChIKeyZIOHSPYSCURJKM-STGKXFFCSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds7

About 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol

2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol (PubChem CID 138456920) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol
PubChem CID138456920
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol
SMILESC=C(N)/C=C(C)\C=C(/COC)NCCO
InChIInChI=1S/C11H20N2O2/c1-9(6-10(2)12)7-11(8-15-3)13-4-5-14/h6-7,13-14H,2,4-5,8,12H2,1,3H3/b9-6-,11-7+
InChIKeyZIOHSPYSCURJKM-STGKXFFCSA-N
XLogP0.52
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol with MolForge

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Related Compounds

(3Z)-3-amino-5-(2-hydroxyethylamino)-2-methylhexa-3,5-dien-2-ol
CID 87287397
(3E,5E)-5-N-(2-methoxyethyl)-2-methylhepta-1,3,5-triene-3,5-diamine
CID 88899433
(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol
CID 88953843
2-[[(4Z)-6-(methylamino)-3-methylidenehepta-1,4,6-trien-2-yl]amino]ethanol
CID 117614804
6-(Methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
CID 142126481
[[(3E)-5-[2-(diethylamino)ethoxy]hexa-3,5-dien-3-yl]amino]methanol
CID 145166628
(2E)-1-methoxy-N,4-dimethylpenta-2,4-dien-2-amine
CID 163804048
ethane;(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573779
(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol
CID 143857176
2-[(4-Amino-4-methoxycyclohexa-1,5-dien-1-yl)amino]ethanol
CID 160038720
(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573780

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol?
The IUPAC name of 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol (CID 138456920) is 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol is C=C(N)/C=C(C)\C=C(/COC)NCCO.
What is the InChIKey of 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol?
The InChIKey is ZIOHSPYSCURJKM-STGKXFFCSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(6-10(2)12)7-11(8-15-3)13-4-5-14/h6-7,13-14H,2,4-5,8,12H2,1,3H3/b9-6-,11-7+.
What are the key properties of 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol?
2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol has a molecular weight of 212.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol is sourced from PubChem (CID 138456920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).