ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine

C14H29NO — CID 142856850

IUPACethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
SMILESC=CO/C(=C\CC(C)CC)[C@H](N)CC.CC
InChIInChI=1S/C12H23NO.C2H6/c1-5-10(4)8-9-12(14-7-3)11(13)6-2;1-2/h7,9-11H,3,5-6,8,13H2,1-2,4H3;1-2H3/b12-9-;/t10?,11-;/m1./s1
InChIKeyXXEKYBUVPXIMOE-DAYGZBEFSA-N
MW227.39 g/mol
LogP4.23
Rot. Bonds7

About ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine

ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine (PubChem CID 142856850) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine.

Molecular Properties

Compound Nameethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
PubChem CID142856850
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
SMILESC=CO/C(=C\CC(C)CC)[C@H](N)CC.CC
InChIInChI=1S/C12H23NO.C2H6/c1-5-10(4)8-9-12(14-7-3)11(13)6-2;1-2/h7,9-11H,3,5-6,8,13H2,1-2,4H3;1-2H3/b12-9-;/t10?,11-;/m1./s1
InChIKeyXXEKYBUVPXIMOE-DAYGZBEFSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
(Z)-2-methyl-4-prop-1-en-2-yloxyhex-4-en-3-amine
CID 142180393
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
CID 142810265
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(1R)-1-(4H-pyran-2-yl)propan-1-amine
CID 142883555
(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
CID 143080311
1-[(1E,5E)-4-methylhepta-1,5-dienoxy]propan-2-amine
CID 144112481
[(2R,3R)-2,3-dimethyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 144712353

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine?
The IUPAC name of ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine (CID 142856850) is ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine.
What is the SMILES notation for ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine?
The canonical SMILES for ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine is C=CO/C(=C\CC(C)CC)[C@H](N)CC.CC.
What is the InChIKey of ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine?
The InChIKey is XXEKYBUVPXIMOE-DAYGZBEFSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-5-10(4)8-9-12(14-7-3)11(13)6-2;1-2/h7,9-11H,3,5-6,8,13H2,1-2,4H3;1-2H3/b12-9-;/t10?,11-;/m1./s1.
What are the key properties of ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine?
ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine has a molecular weight of 227.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine is sourced from PubChem (CID 142856850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).