(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane

C17H37NO — CID 176570092

IUPAC(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane
SMILESC=C(OC)/C(=C\C)C(C)CC.CCC.CCCNC
InChIInChI=1S/C10H18O.C4H11N.C3H8/c1-6-8(3)10(7-2)9(4)11-5;1-3-4-5-2;1-3-2/h7-8H,4,6H2,1-3,5H3;5H,3-4H2,1-2H3;3H2,1-2H3/b10-7-;;
InChIKeyUKRXVIAZGVWASN-QISVCDMNSA-N
MW271.49 g/mol
LogP5.17
Rot. Bonds6

About (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane

(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane (PubChem CID 176570092) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane
PubChem CID176570092
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane
SMILESC=C(OC)/C(=C\C)C(C)CC.CCC.CCCNC
InChIInChI=1S/C10H18O.C4H11N.C3H8/c1-6-8(3)10(7-2)9(4)11-5;1-3-4-5-2;1-3-2/h7-8H,4,6H2,1-3,5H3;5H,3-4H2,1-2H3;3H2,1-2H3/b10-7-;;
InChIKeyUKRXVIAZGVWASN-QISVCDMNSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane?
The IUPAC name of (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane (CID 176570092) is (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane.
What is the SMILES notation for (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane?
The canonical SMILES for (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane is C=C(OC)/C(=C\C)C(C)CC.CCC.CCCNC.
What is the InChIKey of (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane?
The InChIKey is UKRXVIAZGVWASN-QISVCDMNSA-N. The full InChI is InChI=1S/C10H18O.C4H11N.C3H8/c1-6-8(3)10(7-2)9(4)11-5;1-3-4-5-2;1-3-2/h7-8H,4,6H2,1-3,5H3;5H,3-4H2,1-2H3;3H2,1-2H3/b10-7-;;.
What are the key properties of (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane?
(3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane has a molecular weight of 271.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-methoxy-4-methylhex-1-ene;N-methylpropan-1-amine;propane is sourced from PubChem (CID 176570092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).