N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide

C15H29NO — CID 175541599

IUPACN,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide
SMILESCC(C)=CCC(C)C1CC1(C)[N+](C)([O-])C(C)C
InChIInChI=1S/C15H29NO/c1-11(2)8-9-13(5)14-10-15(14,6)16(7,17)12(3)4/h8,12-14H,9-10H2,1-7H3
InChIKeyUVGPURPHZIRNLO-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.11
Rot. Bonds5

About N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide

N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide (PubChem CID 175541599) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide.

Molecular Properties

Compound NameN,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide
PubChem CID175541599
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide
SMILESCC(C)=CCC(C)C1CC1(C)[N+](C)([O-])C(C)C
InChIInChI=1S/C15H29NO/c1-11(2)8-9-13(5)14-10-15(14,6)16(7,17)12(3)4/h8,12-14H,9-10H2,1-7H3
InChIKeyUVGPURPHZIRNLO-UHFFFAOYSA-N
XLogP4.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide?
The IUPAC name of N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide (CID 175541599) is N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide.
What is the SMILES notation for N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide?
The canonical SMILES for N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide is CC(C)=CCC(C)C1CC1(C)[N+](C)([O-])C(C)C.
What is the InChIKey of N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide?
The InChIKey is UVGPURPHZIRNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)8-9-13(5)14-10-15(14,6)16(7,17)12(3)4/h8,12-14H,9-10H2,1-7H3.
What are the key properties of N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide?
N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide has a molecular weight of 239.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide is sourced from PubChem (CID 175541599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).