ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine

C14H29NO — CID 156750960

IUPACethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine
SMILESCC.CC/C(C)=C\C=C(/C)N(C)CCOC
InChIInChI=1S/C12H23NO.C2H6/c1-6-11(2)7-8-12(3)13(4)9-10-14-5;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3/b11-7-,12-8+;
InChIKeyBNHTZDJZFFVGCF-VTYRZUIXSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds6

About ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine

ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine (PubChem CID 156750960) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine
PubChem CID156750960
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine
SMILESCC.CC/C(C)=C\C=C(/C)N(C)CCOC
InChIInChI=1S/C12H23NO.C2H6/c1-6-11(2)7-8-12(3)13(4)9-10-14-5;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3/b11-7-,12-8+;
InChIKeyBNHTZDJZFFVGCF-VTYRZUIXSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
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
(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
(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
4-(Diisocyanomethylidene)-1-(2-methoxyethyl)-2,6-dimethylpyridine
CID 59012858
(3E,5E)-5-N-(2-methoxyethyl)-2-methylhepta-1,3,5-triene-3,5-diamine
CID 88899433
(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905152
(E)-N-(2-methoxyethyl)-N-methylhex-2-en-2-amine
CID 101511212
4-(3,4-Dimethylcyclopenta-1,3-dien-1-yl)morpholine
CID 122630699

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine (CID 156750960) is ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine is CC.CC/C(C)=C\C=C(/C)N(C)CCOC.
What is the InChIKey of ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine?
The InChIKey is BNHTZDJZFFVGCF-VTYRZUIXSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-6-11(2)7-8-12(3)13(4)9-10-14-5;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3/b11-7-,12-8+;.
What are the key properties of ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine?
ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 156750960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).