2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide

C15H29IN4 — CID 110925220

IUPAC2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide
SMILESC=CCN(CC=C)C(C/N=C(\N)NC1CC1)C(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-5-9-19(10-6-2)14(12(3)4)11-17-15(16)18-13-7-8-13;/h5-6,12-14H,1-2,7-11H2,3-4H3,(H3,16,17,18);1H
InChIKeyBQLKMPGXFFNNNV-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.37
Rot. Bonds9

About 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide

2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide (PubChem CID 110925220) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide
PubChem CID110925220
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide
SMILESC=CCN(CC=C)C(C/N=C(\N)NC1CC1)C(C)C.I
InChIInChI=1S/C15H28N4.HI/c1-5-9-19(10-6-2)14(12(3)4)11-17-15(16)18-13-7-8-13;/h5-6,12-14H,1-2,7-11H2,3-4H3,(H3,16,17,18);1H
InChIKeyBQLKMPGXFFNNNV-UHFFFAOYSA-N
XLogP2.37
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide (CID 110925220) is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide is C=CCN(CC=C)C(C/N=C(\N)NC1CC1)C(C)C.I.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide?
The InChIKey is BQLKMPGXFFNNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-5-9-19(10-6-2)14(12(3)4)11-17-15(16)18-13-7-8-13;/h5-6,12-14H,1-2,7-11H2,3-4H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide?
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-cyclopropylguanidine;hydroiodide is sourced from PubChem (CID 110925220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).