3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine

C14H24N4 — CID 55116433

IUPAC3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCC(C)N1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C14H24N4/c1-3-12(2)18-9-7-17(8-10-18)11-13-5-4-6-16-14(13)15/h4-6,12H,3,7-11H2,1-2H3,(H2,15,16)
InChIKeyJVTYNDFQAPBFFO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds4

About 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine

3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 55116433) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID55116433
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCC(C)N1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C14H24N4/c1-3-12(2)18-9-7-17(8-10-18)11-13-5-4-6-16-14(13)15/h4-6,12H,3,7-11H2,1-2H3,(H2,15,16)
InChIKeyJVTYNDFQAPBFFO-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 70753604
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-4-piperidin-1-ylpentan-1-one
CID 134699706
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 114539469
3-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-chloroaniline
CID 62774579

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine (CID 55116433) is 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine is CCC(C)N1CCN(Cc2cccnc2N)CC1.
What is the InChIKey of 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is JVTYNDFQAPBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-12(2)18-9-7-17(8-10-18)11-13-5-4-6-16-14(13)15/h4-6,12H,3,7-11H2,1-2H3,(H2,15,16).
What are the key properties of 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55116433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).