N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

C19H30N2 — CID 63552895

IUPACN-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCC1CCN(c2ccc(CNC3CC3)cc2C)CC1
InChIInChI=1S/C19H30N2/c1-3-4-16-9-11-21(12-10-16)19-8-5-17(13-15(19)2)14-20-18-6-7-18/h5,8,13,16,18,20H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyXBHGMDAVROWZJP-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.26
Rot. Bonds6

About N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63552895) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID63552895
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCC1CCN(c2ccc(CNC3CC3)cc2C)CC1
InChIInChI=1S/C19H30N2/c1-3-4-16-9-11-21(12-10-16)19-8-5-17(13-15(19)2)14-20-18-6-7-18/h5,8,13,16,18,20H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyXBHGMDAVROWZJP-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
1-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63634476
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62125029
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 63552895) is N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is CCCC1CCN(c2ccc(CNC3CC3)cc2C)CC1.
What is the InChIKey of N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XBHGMDAVROWZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-4-16-9-11-21(12-10-16)19-8-5-17(13-15(19)2)14-20-18-6-7-18/h5,8,13,16,18,20H,3-4,6-7,9-12,14H2,1-2H3.
What are the key properties of N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63552895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).