3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide

C15H29IN4 — CID 110914803

IUPAC3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide
SMILESC=CCN(CC=C)C(CNC1=NCCCN1)C(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-5-10-19(11-6-2)14(13(3)4)12-18-15-16-8-7-9-17-15;/h5-6,13-14H,1-2,7-12H2,3-4H3,(H2,16,17,18);1H
InChIKeyBLYRWAXFDFENTG-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.24
Rot. Bonds8

About 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide

3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide (PubChem CID 110914803) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide.

Molecular Properties

Compound Name3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide
PubChem CID110914803
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide
SMILESC=CCN(CC=C)C(CNC1=NCCCN1)C(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-5-10-19(11-6-2)14(13(3)4)12-18-15-16-8-7-9-17-15;/h5-6,13-14H,1-2,7-12H2,3-4H3,(H2,16,17,18);1H
InChIKeyBLYRWAXFDFENTG-UHFFFAOYSA-N
XLogP2.24
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471772
2-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471773
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472370
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472371
1,2-Dimethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497229
3-Ethyl-1-methyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497739
2-Methyl-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-3-prop-2-enylguanidine;hydroiodide
CID 109699080
2-Methyl-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-3-prop-2-enylguanidine
CID 109699081
1-Ethyl-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-prop-2-enylguanidine;hydroiodide
CID 109699512
1-Ethyl-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-prop-2-enylguanidine
CID 109699513
3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine
CID 110914804
2-[2-(4-Methylpiperidin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110916751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide?
The IUPAC name of 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide (CID 110914803) is 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide.
What is the SMILES notation for 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide?
The canonical SMILES for 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide is C=CCN(CC=C)C(CNC1=NCCCN1)C(C)C.I.
What is the InChIKey of 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide?
The InChIKey is BLYRWAXFDFENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-5-10-19(11-6-2)14(13(3)4)12-18-15-16-8-7-9-17-15;/h5-6,13-14H,1-2,7-12H2,3-4H3,(H2,16,17,18);1H.
What are the key properties of 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide?
3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N,2-N-bis(prop-2-enyl)-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,2-diamine;hydroiodide is sourced from PubChem (CID 110914803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).