N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C17H27N3 — CID 63620639

IUPACN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccccc2CNC2CC2)CCN1C
InChIInChI=1S/C17H27N3/c1-14-12-20(10-9-19(14)2)13-16-6-4-3-5-15(16)11-18-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyLQRJFEDARZORCV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.07
Rot. Bonds5

About N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63620639) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID63620639
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccccc2CNC2CC2)CCN1C
InChIInChI=1S/C17H27N3/c1-14-12-20(10-9-19(14)2)13-16-6-4-3-5-15(16)11-18-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyLQRJFEDARZORCV-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464074
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 63633586
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030403
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 63620639) is N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is CC1CN(Cc2ccccc2CNC2CC2)CCN1C.
What is the InChIKey of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is LQRJFEDARZORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-12-20(10-9-19(14)2)13-16-6-4-3-5-15(16)11-18-17-7-8-17/h3-6,14,17-18H,7-13H2,1-2H3.
What are the key properties of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63620639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).