N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine

C15H29NO — CID 146551805

IUPACN,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine
SMILESC=C(CC)CC/C=C(\C)COCCCN(C)C
InChIInChI=1S/C15H29NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h10H,2,6-9,11-13H2,1,3-5H3/b15-10+
InChIKeyKHOWBJBFMKUTFT-XNTDXEJSSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds10

About N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine

N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine (PubChem CID 146551805) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine
PubChem CID146551805
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine
SMILESC=C(CC)CC/C=C(\C)COCCCN(C)C
InChIInChI=1S/C15H29NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h10H,2,6-9,11-13H2,1,3-5H3/b15-10+
InChIKeyKHOWBJBFMKUTFT-XNTDXEJSSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine (CID 146551805) is N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine is C=C(CC)CC/C=C(\C)COCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine?
The InChIKey is KHOWBJBFMKUTFT-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h10H,2,6-9,11-13H2,1,3-5H3/b15-10+.
What are the key properties of N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine?
N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(E)-2-methyl-6-methylideneoct-2-enoxy]propan-1-amine is sourced from PubChem (CID 146551805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).