N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C17H30N4 — CID 106906436

IUPACN-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C(C)CC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-15(3)21-11-9-20(10-12-21)14-17-8-6-7-16(19-17)13-18-5-2/h6-8,15,18H,4-5,9-14H2,1-3H3
InChIKeyONWCOCOPSAUHPM-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.11
Rot. Bonds7

About N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106906436) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106906436
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C(C)CC)CC2)n1
InChIInChI=1S/C17H30N4/c1-4-15(3)21-11-9-20(10-12-21)14-17-8-6-7-16(19-17)13-18-5-2/h6-8,15,18H,4-5,9-14H2,1-3H3
InChIKeyONWCOCOPSAUHPM-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909093
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906497
N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906588
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906886
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
ethane;1-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-1-one
CID 176942108

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106906436) is N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCN(C(C)CC)CC2)n1.
What is the InChIKey of N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is ONWCOCOPSAUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-15(3)21-11-9-20(10-12-21)14-17-8-6-7-16(19-17)13-18-5-2/h6-8,15,18H,4-5,9-14H2,1-3H3.
What are the key properties of N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106906436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).