N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine

C15H31NO — CID 173413382

IUPACN-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
SMILESCCCCNCC=C(C)CCCC(C)(C)OC
InChIInChI=1S/C15H31NO/c1-6-7-12-16-13-10-14(2)9-8-11-15(3,4)17-5/h10,16H,6-9,11-13H2,1-5H3
InChIKeyDWSKHPUVKMCALR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds10

About N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine

N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine (PubChem CID 173413382) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine.

Molecular Properties

Compound NameN-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
PubChem CID173413382
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
SMILESCCCCNCC=C(C)CCCC(C)(C)OC
InChIInChI=1S/C15H31NO/c1-6-7-12-16-13-10-14(2)9-8-11-15(3,4)17-5/h10,16H,6-9,11-13H2,1-5H3
InChIKeyDWSKHPUVKMCALR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine?
The IUPAC name of N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine (CID 173413382) is N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine.
What is the SMILES notation for N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine?
The canonical SMILES for N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine is CCCCNCC=C(C)CCCC(C)(C)OC.
What is the InChIKey of N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine?
The InChIKey is DWSKHPUVKMCALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-7-12-16-13-10-14(2)9-8-11-15(3,4)17-5/h10,16H,6-9,11-13H2,1-5H3.
What are the key properties of N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine?
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine is sourced from PubChem (CID 173413382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).