ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C13H25NO — CID 143559963

IUPACethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCOC.CC
InChIInChI=1S/C11H19NO.C2H6/c1-10(2)6-7-11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b7-6-;
InChIKeyLYKFRFAYSPRYOK-NAFXZHHSSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds6

About ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 143559963) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID143559963
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCOC.CC
InChIInChI=1S/C11H19NO.C2H6/c1-10(2)6-7-11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b7-6-;
InChIKeyLYKFRFAYSPRYOK-NAFXZHHSSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942291
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
4-(1-Cyclopenta-2,4-dien-1-ylideneethyl)morpholine
CID 85658611
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942292
(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 143994577
4-[(1E,3E,5Z)-1-fluoro-5-methylhepta-1,3,5-trien-4-yl]-1,4-oxazepane
CID 144441804
(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607365
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 143559963) is ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N(C)CCOC.CC.
What is the InChIKey of ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is LYKFRFAYSPRYOK-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-10(2)6-7-11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b7-6-;.
What are the key properties of ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143559963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).