N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine

C10H19NO — CID 79598630

IUPACN-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
SMILESCOCC(C)=CCCNC1CC1
InChIInChI=1S/C10H19NO/c1-9(8-12-2)4-3-7-11-10-5-6-10/h4,10-11H,3,5-8H2,1-2H3
InChIKeyZUYABWMUHYMNAE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds6

About N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine

N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine (PubChem CID 79598630) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
PubChem CID79598630
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
SMILESCOCC(C)=CCCNC1CC1
InChIInChI=1S/C10H19NO/c1-9(8-12-2)4-3-7-11-10-5-6-10/h4,10-11H,3,5-8H2,1-2H3
InChIKeyZUYABWMUHYMNAE-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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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Related Compounds

N-(4-methyl-5-propan-2-yloxypent-3-enyl)cyclopropanamine
CID 79599787
N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine
CID 104863204
N-(4,6-dimethyloct-3-enyl)cyclopropanamine
CID 79598638
N-(4,6-dimethylnon-3-enyl)cyclopropanamine
CID 79606790
N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
CID 103019344
N-[4-(4-ethylcyclohexyl)pent-3-enyl]cyclopropanamine
CID 79598240
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
CID 79597866
N-[4-(3,4-diethoxyphenyl)pent-3-enyl]cyclopropanamine
CID 79598433
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
CID 79598122
N-[4-(2,5-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79599402

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine?
The IUPAC name of N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine (CID 79598630) is N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine?
The canonical SMILES for N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine is COCC(C)=CCCNC1CC1.
What is the InChIKey of N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine?
The InChIKey is ZUYABWMUHYMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(8-12-2)4-3-7-11-10-5-6-10/h4,10-11H,3,5-8H2,1-2H3.
What are the key properties of N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine?
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine is sourced from PubChem (CID 79598630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).