N-(7,7-dimethyloct-3-enyl)cyclopropanamine

C13H25N — CID 79591091

IUPACN-(7,7-dimethyloct-3-enyl)cyclopropanamine
SMILESCC(C)(C)CCC=CCCNC1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)10-6-4-5-7-11-14-12-8-9-12/h4-5,12,14H,6-11H2,1-3H3
InChIKeyBTPIFESZRGMAQP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds6

About N-(7,7-dimethyloct-3-enyl)cyclopropanamine

N-(7,7-dimethyloct-3-enyl)cyclopropanamine (PubChem CID 79591091) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(7,7-dimethyloct-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(7,7-dimethyloct-3-enyl)cyclopropanamine
PubChem CID79591091
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(7,7-dimethyloct-3-enyl)cyclopropanamine
SMILESCC(C)(C)CCC=CCCNC1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)10-6-4-5-7-11-14-12-8-9-12/h4-5,12,14H,6-11H2,1-3H3
InChIKeyBTPIFESZRGMAQP-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-(5,5-dimethylhex-3-enyl)cyclopropanamine
CID 79593002
N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
CID 79592331
N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79591352
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine
CID 79599695
N-(6,6-dimethylheptyl)piperidin-4-amine
CID 170373818
N-[(E)-4-(2-ethylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79593006
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
CID 79593450
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyloct-3-enyl)cyclopropanamine?
The IUPAC name of N-(7,7-dimethyloct-3-enyl)cyclopropanamine (CID 79591091) is N-(7,7-dimethyloct-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(7,7-dimethyloct-3-enyl)cyclopropanamine?
The canonical SMILES for N-(7,7-dimethyloct-3-enyl)cyclopropanamine is CC(C)(C)CCC=CCCNC1CC1.
What is the InChIKey of N-(7,7-dimethyloct-3-enyl)cyclopropanamine?
The InChIKey is BTPIFESZRGMAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)10-6-4-5-7-11-14-12-8-9-12/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of N-(7,7-dimethyloct-3-enyl)cyclopropanamine?
N-(7,7-dimethyloct-3-enyl)cyclopropanamine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyloct-3-enyl)cyclopropanamine is sourced from PubChem (CID 79591091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).