1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine

C16H26N4 — CID 99799235

IUPAC1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine
SMILESC=C(C)CN1CCC(N[C@@H](C)c2ccnc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-12(2)11-20-9-6-15(7-10-20)18-13(3)16-5-8-17-14(4)19-16/h5,8,13,15,18H,1,6-7,9-11H2,2-4H3/t13-/m0/s1
InChIKeySRSCTRMKUUNPQF-ZDUSSCGKSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine

1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine (PubChem CID 99799235) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine
PubChem CID99799235
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine
SMILESC=C(C)CN1CCC(N[C@@H](C)c2ccnc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-12(2)11-20-9-6-15(7-10-20)18-13(3)16-5-8-17-14(4)19-16/h5,8,13,15,18H,1,6-7,9-11H2,2-4H3/t13-/m0/s1
InChIKeySRSCTRMKUUNPQF-ZDUSSCGKSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine (CID 99799235) is 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine is C=C(C)CN1CCC(N[C@@H](C)c2ccnc(C)n2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is SRSCTRMKUUNPQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4/c1-12(2)11-20-9-6-15(7-10-20)18-13(3)16-5-8-17-14(4)19-16/h5,8,13,15,18H,1,6-7,9-11H2,2-4H3/t13-/m0/s1.
What are the key properties of 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine?
1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-N-[(1S)-1-(2-methylpyrimidin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 99799235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).