(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol

C12H22N2O — CID 142246783

IUPAC(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol
SMILESCC/C=C\C(=C/C=C/NC)C(O)N(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-8-11(9-7-10-13-2)12(15)14(3)4/h6-10,12-13,15H,5H2,1-4H3/b8-6-,10-7+,11-9+
InChIKeyMEWVHUPRPZKMIN-YSBYEXHCSA-N
MW210.32 g/mol
LogP1.49
Rot. Bonds6

About (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol

(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol (PubChem CID 142246783) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol
PubChem CID142246783
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol
SMILESCC/C=C\C(=C/C=C/NC)C(O)N(C)C
InChIInChI=1S/C12H22N2O/c1-5-6-8-11(9-7-10-13-2)12(15)14(3)4/h6-10,12-13,15H,5H2,1-4H3/b8-6-,10-7+,11-9+
InChIKeyMEWVHUPRPZKMIN-YSBYEXHCSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2Z,4E)-4-[[[(1E,3E)-3-ethyl-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
CID 144635074
(2Z,4E)-4-[[[(1E,3Z)-3-chloro-4-fluorohexa-1,3,5-trienyl]amino]methyl]hexa-2,4-dien-1-ol
CID 144761187
(6-methyl-1H-azepin-4-yl)methanol
CID 70472138
(6-ethyl-1H-azepin-4-yl)methanol
CID 70472240
(3-methyl-1H-azepin-4-yl)methanol
CID 70473243
(3Z,5E)-6-(methylamino)-2-methylidene-1-(propan-2-ylamino)hexa-3,5-dien-1-ol
CID 89154009
1-(1H-azepin-4-yl)ethanol
CID 89156860
(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
CID 89427234
6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol
CID 90833187
(Z)-2-methylidene-1-(propylamino)pent-3-en-1-ol
CID 117796391
(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
CID 121464012
3-Ethyl-1,2-dihydropyridin-2-ol
CID 139341776

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol?
The IUPAC name of (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol (CID 142246783) is (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol.
What is the SMILES notation for (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol?
The canonical SMILES for (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol is CC/C=C\C(=C/C=C/NC)C(O)N(C)C.
What is the InChIKey of (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol?
The InChIKey is MEWVHUPRPZKMIN-YSBYEXHCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-8-11(9-7-10-13-2)12(15)14(3)4/h6-10,12-13,15H,5H2,1-4H3/b8-6-,10-7+,11-9+.
What are the key properties of (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol?
(Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-1-(dimethylamino)-2-[(E)-3-(methylamino)prop-2-enylidene]hex-3-en-1-ol is sourced from PubChem (CID 142246783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).