N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C18H29N3 — CID 114540058

IUPACN-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccc(CNC3CC3)cc2)CC(C)N1C
InChIInChI=1S/C18H29N3/c1-14-11-21(12-15(2)20(14)3)13-17-6-4-16(5-7-17)10-19-18-8-9-18/h4-7,14-15,18-19H,8-13H2,1-3H3
InChIKeyAZOGAWMKCGSTIM-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.46
Rot. Bonds5

About N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 114540058) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID114540058
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccc(CNC3CC3)cc2)CC(C)N1C
InChIInChI=1S/C18H29N3/c1-14-11-21(12-15(2)20(14)3)13-17-6-4-16(5-7-17)10-19-18-8-9-18/h4-7,14-15,18-19H,8-13H2,1-3H3
InChIKeyAZOGAWMKCGSTIM-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
N-methyl-2-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105348449
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 114540058) is N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is CC1CN(Cc2ccc(CNC3CC3)cc2)CC(C)N1C.
What is the InChIKey of N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is AZOGAWMKCGSTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-11-21(12-15(2)20(14)3)13-17-6-4-16(5-7-17)10-19-18-8-9-18/h4-7,14-15,18-19H,8-13H2,1-3H3.
What are the key properties of N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114540058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).