N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C14H29IN4 — CID 110915833

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CC(C)CN(CCCNC2=NCCCN2)C1.I
InChIInChI=1S/C14H28N4.HI/c1-12-9-13(2)11-18(10-12)8-4-7-17-14-15-5-3-6-16-14;/h12-13H,3-11H2,1-2H3,(H2,15,16,17);1H
InChIKeyNQZALICAOQFYBR-UHFFFAOYSA-N
MW380.32 g/mol
LogP1.91
Rot. Bonds4

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110915833) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110915833
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CC(C)CN(CCCNC2=NCCCN2)C1.I
InChIInChI=1S/C14H28N4.HI/c1-12-9-13(2)11-18(10-12)8-4-7-17-14-15-5-3-6-16-14;/h12-13H,3-11H2,1-2H3,(H2,15,16,17);1H
InChIKeyNQZALICAOQFYBR-UHFFFAOYSA-N
XLogP1.91
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110915833) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC1CC(C)CN(CCCNC2=NCCCN2)C1.I.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is NQZALICAOQFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-12-9-13(2)11-18(10-12)8-4-7-17-14-15-5-3-6-16-14;/h12-13H,3-11H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110915833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).