ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane

C17H35NO — CID 144829817

IUPACethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane
SMILESC=C/C=C1\C(=C)OCC(N)C1C.CC.CC.CCC
InChIInChI=1S/C10H15NO.C3H8.2C2H6/c1-4-5-9-7(2)10(11)6-12-8(9)3;1-3-2;2*1-2/h4-5,7,10H,1,3,6,11H2,2H3;3H2,1-2H3;2*1-2H3/b9-5-;;;
InChIKeyFNASYAKDWLYXFJ-WNRDOTPUSA-N
MW269.47 g/mol
LogP5.07
Rot. Bonds1

About ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane

ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane (PubChem CID 144829817) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane.

Molecular Properties

Compound Nameethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane
PubChem CID144829817
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane
SMILESC=C/C=C1\C(=C)OCC(N)C1C.CC.CC.CCC
InChIInChI=1S/C10H15NO.C3H8.2C2H6/c1-4-5-9-7(2)10(11)6-12-8(9)3;1-3-2;2*1-2/h4-5,7,10H,1,3,6,11H2,2H3;3H2,1-2H3;2*1-2H3/b9-5-;;;
InChIKeyFNASYAKDWLYXFJ-WNRDOTPUSA-N
XLogP5.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane?
The IUPAC name of ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane (CID 144829817) is ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane.
What is the SMILES notation for ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane?
The canonical SMILES for ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane is C=C/C=C1\C(=C)OCC(N)C1C.CC.CC.CCC.
What is the InChIKey of ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane?
The InChIKey is FNASYAKDWLYXFJ-WNRDOTPUSA-N. The full InChI is InChI=1S/C10H15NO.C3H8.2C2H6/c1-4-5-9-7(2)10(11)6-12-8(9)3;1-3-2;2*1-2/h4-5,7,10H,1,3,6,11H2,2H3;3H2,1-2H3;2*1-2H3/b9-5-;;;.
What are the key properties of ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane?
ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane has a molecular weight of 269.47 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-4-methyl-6-methylidene-5-prop-2-enylideneoxan-3-amine;propane is sourced from PubChem (CID 144829817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).