N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

C17H28N4 — CID 106906584

IUPACN-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2cccc(CNC3CC3)n2)CCN1C
InChIInChI=1S/C17H28N4/c1-3-17-13-21(10-9-20(17)2)12-16-6-4-5-15(19-16)11-18-14-7-8-14/h4-6,14,17-18H,3,7-13H2,1-2H3
InChIKeyZCGGALWUSABZBY-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.86
Rot. Bonds6

About N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106906584) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106906584
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2cccc(CNC3CC3)n2)CCN1C
InChIInChI=1S/C17H28N4/c1-3-17-13-21(10-9-20(17)2)12-16-6-4-5-15(19-16)11-18-14-7-8-14/h4-6,14,17-18H,3,7-13H2,1-2H3
InChIKeyZCGGALWUSABZBY-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 79231506
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556834
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
1-[6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 55217768
N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 107395527
N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63621290
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907359
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106906584) is N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is CCC1CN(Cc2cccc(CNC3CC3)n2)CCN1C.
What is the InChIKey of N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZCGGALWUSABZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-17-13-21(10-9-20(17)2)12-16-6-4-5-15(19-16)11-18-14-7-8-14/h4-6,14,17-18H,3,7-13H2,1-2H3.
What are the key properties of N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106906584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).