N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine

C15H24N2 — CID 55129561

IUPACN-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCCCNCc1ccc(CN(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-10-16-11-13-4-6-14(7-5-13)12-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyLZUNYHFHQCRFSX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.78
Rot. Bonds7

About N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine

N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine (PubChem CID 55129561) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
PubChem CID55129561
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
SMILESCCCNCc1ccc(CN(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-10-16-11-13-4-6-14(7-5-13)12-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyLZUNYHFHQCRFSX-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63553409
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
CID 62431673
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
CID 62423017
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
CID 62434485
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine (CID 55129561) is N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine is CCCNCc1ccc(CN(C)C2CC2)cc1.
What is the InChIKey of N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is LZUNYHFHQCRFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-10-16-11-13-4-6-14(7-5-13)12-17(2)15-8-9-15/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine?
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 232.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).