N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine

C12H25NO — CID 81015534

IUPACN-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
SMILESCCCOCC(C)C(C)CNC1CC1
InChIInChI=1S/C12H25NO/c1-4-7-14-9-11(3)10(2)8-13-12-5-6-12/h10-13H,4-9H2,1-3H3
InChIKeyUUICIUIXDPNSHW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds8

About N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine

N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine (PubChem CID 81015534) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
PubChem CID81015534
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
SMILESCCCOCC(C)C(C)CNC1CC1
InChIInChI=1S/C12H25NO/c1-4-7-14-9-11(3)10(2)8-13-12-5-6-12/h10-13H,4-9H2,1-3H3
InChIKeyUUICIUIXDPNSHW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
N-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropyl]cyclopropanamine
CID 103075099
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine?
The IUPAC name of N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine (CID 81015534) is N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine.
What is the SMILES notation for N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine?
The canonical SMILES for N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine is CCCOCC(C)C(C)CNC1CC1.
What is the InChIKey of N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine?
The InChIKey is UUICIUIXDPNSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-14-9-11(3)10(2)8-13-12-5-6-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine?
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine is sourced from PubChem (CID 81015534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).