acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane

C14H29NO — CID 177319836

IUPACacetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane
SMILESC#C.C/C=C(/CCCNC)OCC.CCC
InChIInChI=1S/C9H19NO.C3H8.C2H2/c1-4-9(11-5-2)7-6-8-10-3;1-3-2;1-2/h4,10H,5-8H2,1-3H3;3H2,1-2H3;1-2H/b9-4-;;
InChIKeyLZTKEQBXKOQSTF-FPAIPBCFSA-N
MW227.39 g/mol
LogP3.59
Rot. Bonds6

About acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane

acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane (PubChem CID 177319836) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane.

Molecular Properties

Compound Nameacetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane
PubChem CID177319836
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameacetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane
SMILESC#C.C/C=C(/CCCNC)OCC.CCC
InChIInChI=1S/C9H19NO.C3H8.C2H2/c1-4-9(11-5-2)7-6-8-10-3;1-3-2;1-2/h4,10H,5-8H2,1-3H3;3H2,1-2H3;1-2H/b9-4-;;
InChIKeyLZTKEQBXKOQSTF-FPAIPBCFSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
CID 177319659
acetylene;(Z)-4-ethoxyhex-4-en-1-amine;propane
CID 177319662
4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine
CID 177319942
acetylene;ethane;(Z)-3-ethoxy-N-methylpent-3-en-1-amine
CID 177320056
N-methyl-3-(3-methyl-4,5-dihydrooxepin-2-yl)propan-1-amine
CID 177320182
2-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 84020703
(Z)-4-ethoxyhex-4-en-1-amine
CID 177319663
(Z)-4-ethoxy-N-methylhex-4-en-1-amine
CID 177319837
(Z)-3-ethoxy-N-methylpent-3-en-1-amine
CID 177320057

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane?
The IUPAC name of acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane (CID 177319836) is acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane.
What is the SMILES notation for acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane?
The canonical SMILES for acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane is C#C.C/C=C(/CCCNC)OCC.CCC.
What is the InChIKey of acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane?
The InChIKey is LZTKEQBXKOQSTF-FPAIPBCFSA-N. The full InChI is InChI=1S/C9H19NO.C3H8.C2H2/c1-4-9(11-5-2)7-6-8-10-3;1-3-2;1-2/h4,10H,5-8H2,1-3H3;3H2,1-2H3;1-2H/b9-4-;;.
What are the key properties of acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane?
acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane has a molecular weight of 227.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-4-ethoxy-N-methylhex-4-en-1-amine;propane is sourced from PubChem (CID 177319836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).