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

C17H28N4 — CID 81253804

IUPACN-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(c2cc(C)ncc2CNC2CC2)CCN1C
InChIInChI=1S/C17H28N4/c1-4-16-12-21(8-7-20(16)3)17-9-13(2)18-10-14(17)11-19-15-5-6-15/h9-10,15-16,19H,4-8,11-12H2,1-3H3
InChIKeyOKZHSPNHOYDQSY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.17
Rot. Bonds5

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

N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81253804) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81253804
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(c2cc(C)ncc2CNC2CC2)CCN1C
InChIInChI=1S/C17H28N4/c1-4-16-12-21(8-7-20(16)3)17-9-13(2)18-10-14(17)11-19-15-5-6-15/h9-10,15-16,19H,4-8,11-12H2,1-3H3
InChIKeyOKZHSPNHOYDQSY-UHFFFAOYSA-N
XLogP2.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81246999
N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254147
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253602
N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81246490
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247350
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63621290
N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81246576

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81253804) is N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is CCC1CN(c2cc(C)ncc2CNC2CC2)CCN1C.
What is the InChIKey of N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is OKZHSPNHOYDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-16-12-21(8-7-20(16)3)17-9-13(2)18-10-14(17)11-19-15-5-6-15/h9-10,15-16,19H,4-8,11-12H2,1-3H3.
What are the key properties of N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81253804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).