N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine

C16H23NO — CID 139539958

IUPACN-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(C)C/C1=C/OC(C)/C=C\C=C/CC1=C
InChIInChI=1S/C16H23NO/c1-5-11-17(4)12-16-13-18-15(3)10-8-6-7-9-14(16)2/h5-8,10,13,15H,1-2,9,11-12H2,3-4H3/b7-6-,10-8-,16-13-
InChIKeyZOVLVKAOCPCCAY-ZMHVACSSSA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine

N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine (PubChem CID 139539958) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
PubChem CID139539958
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(C)C/C1=C/OC(C)/C=C\C=C/CC1=C
InChIInChI=1S/C16H23NO/c1-5-11-17(4)12-16-13-18-15(3)10-8-6-7-9-14(16)2/h5-8,10,13,15H,1-2,9,11-12H2,3-4H3/b7-6-,10-8-,16-13-
InChIKeyZOVLVKAOCPCCAY-ZMHVACSSSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine (CID 139539958) is N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine is C=CCN(C)C/C1=C/OC(C)/C=C\C=C/CC1=C.
What is the InChIKey of N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine?
The InChIKey is ZOVLVKAOCPCCAY-ZMHVACSSSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-11-17(4)12-16-13-18-15(3)10-8-6-7-9-14(16)2/h5-8,10,13,15H,1-2,9,11-12H2,3-4H3/b7-6-,10-8-,16-13-.
What are the key properties of N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine?
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 139539958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).