N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

C16H27N5 — CID 66457839

IUPACN-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESCN(C)CC1CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-20(2)12-13-5-7-21(8-6-13)16-11-17-9-15(19-16)10-18-14-3-4-14/h9,11,13-14,18H,3-8,10,12H2,1-2H3
InChIKeyCKFMAFNAIXJLMV-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.51
Rot. Bonds6

About N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 66457839) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID66457839
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESCN(C)CC1CCN(c2cncc(CNC3CC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-20(2)12-13-5-7-21(8-6-13)16-11-17-9-15(19-16)10-18-14-3-4-14/h9,11,13-14,18H,3-8,10,12H2,1-2H3
InChIKeyCKFMAFNAIXJLMV-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 115562086
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073298
N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449148
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 114460782
N-[[6-(2,3-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66457927
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
CID 66449940
N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
N'-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 66451630
2-N-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191593
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
CID 80941631
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (CID 66457839) is N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is CN(C)CC1CCN(c2cncc(CNC3CC3)n2)CC1.
What is the InChIKey of N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is CKFMAFNAIXJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-20(2)12-13-5-7-21(8-6-13)16-11-17-9-15(19-16)10-18-14-3-4-14/h9,11,13-14,18H,3-8,10,12H2,1-2H3.
What are the key properties of N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 289.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).