N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine

C17H25NO — CID 79341149

IUPACN-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCCCCOc1ccc(C=C(C)CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-4-11-19-17-9-5-15(6-10-17)12-14(2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3
InChIKeyGSVUJSRODIWNJH-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds8

About N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine

N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79341149) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79341149
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCCCCOc1ccc(C=C(C)CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-3-4-11-19-17-9-5-15(6-10-17)12-14(2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3
InChIKeyGSVUJSRODIWNJH-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]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-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79340630
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202
1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
CID 150699958
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
2-[(4-butoxyphenyl)methylidene]propanedioic acid
CID 21291628
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine (CID 79341149) is N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine is CCCCOc1ccc(C=C(C)CNC2CC2)cc1.
What is the InChIKey of N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is GSVUJSRODIWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-4-11-19-17-9-5-15(6-10-17)12-14(2)13-18-16-7-8-16/h5-6,9-10,12,16,18H,3-4,7-8,11,13H2,1-2H3.
What are the key properties of N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine?
N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79341149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).