2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine

C15H28N4 — CID 110925217

IUPAC2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C
InChIInChI=1S/C15H28N4/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18)
InChIKeyGJHCPTHFJHXQKI-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.78
Rot. Bonds10

About 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine

2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine (PubChem CID 110925217) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine
PubChem CID110925217
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C
InChIInChI=1S/C15H28N4/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18)
InChIKeyGJHCPTHFJHXQKI-UHFFFAOYSA-N
XLogP1.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.78
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': '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-prop-2-enylguanidine?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine (CID 110925217) is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine?
The InChIKey is GJHCPTHFJHXQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18).
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine?
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine has a molecular weight of 264.42 g/mol, XLogP of 1.78, 10 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-prop-2-enylguanidine is sourced from PubChem (CID 110925217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).