N-(4,6-dimethyloct-3-enyl)cyclopropanamine

C13H25N — CID 79598638

IUPACN-(4,6-dimethyloct-3-enyl)cyclopropanamine
SMILESCCC(C)CC(C)=CCCNC1CC1
InChIInChI=1S/C13H25N/c1-4-11(2)10-12(3)6-5-9-14-13-7-8-13/h6,11,13-14H,4-5,7-10H2,1-3H3
InChIKeyFRSXKBZLHVWUSV-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds7

About N-(4,6-dimethyloct-3-enyl)cyclopropanamine

N-(4,6-dimethyloct-3-enyl)cyclopropanamine (PubChem CID 79598638) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(4,6-dimethyloct-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4,6-dimethyloct-3-enyl)cyclopropanamine
PubChem CID79598638
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(4,6-dimethyloct-3-enyl)cyclopropanamine
SMILESCCC(C)CC(C)=CCCNC1CC1
InChIInChI=1S/C13H25N/c1-4-11(2)10-12(3)6-5-9-14-13-7-8-13/h6,11,13-14H,4-5,7-10H2,1-3H3
InChIKeyFRSXKBZLHVWUSV-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4,6-dimethylnon-3-enyl)cyclopropanamine
CID 79606790
N-(4-methyl-5-propan-2-yloxypent-3-enyl)cyclopropanamine
CID 79599787
N-tert-butyl-4,6-dimethyloct-3-en-1-amine
CID 79607887
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
CID 79607917
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
N-(6-methoxy-4,5-dimethylhex-3-enyl)cyclopropanamine
CID 104863204
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N-[4-(4-ethylcyclohexyl)pent-3-enyl]cyclopropanamine
CID 79598240
N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
CID 79598122
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

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyloct-3-enyl)cyclopropanamine?
The IUPAC name of N-(4,6-dimethyloct-3-enyl)cyclopropanamine (CID 79598638) is N-(4,6-dimethyloct-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(4,6-dimethyloct-3-enyl)cyclopropanamine?
The canonical SMILES for N-(4,6-dimethyloct-3-enyl)cyclopropanamine is CCC(C)CC(C)=CCCNC1CC1.
What is the InChIKey of N-(4,6-dimethyloct-3-enyl)cyclopropanamine?
The InChIKey is FRSXKBZLHVWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11(2)10-12(3)6-5-9-14-13-7-8-13/h6,11,13-14H,4-5,7-10H2,1-3H3.
What are the key properties of N-(4,6-dimethyloct-3-enyl)cyclopropanamine?
N-(4,6-dimethyloct-3-enyl)cyclopropanamine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyloct-3-enyl)cyclopropanamine is sourced from PubChem (CID 79598638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).