1,1,2-tris(3-methylbut-3-enyl)guanidine

C16H29N3 — CID 163189609

IUPAC1,1,2-tris(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CC/N=C(\N)N(CCC(=C)C)CCC(=C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-18-16(17)19(11-8-14(3)4)12-9-15(5)6/h1,3,5,7-12H2,2,4,6H3,(H2,17,18)
InChIKeyDPABFWDZPDTZJM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.50
Rot. Bonds9

About 1,1,2-tris(3-methylbut-3-enyl)guanidine

1,1,2-tris(3-methylbut-3-enyl)guanidine (PubChem CID 163189609) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,1,2-tris(3-methylbut-3-enyl)guanidine.

Molecular Properties

Compound Name1,1,2-tris(3-methylbut-3-enyl)guanidine
PubChem CID163189609
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,1,2-tris(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CC/N=C(\N)N(CCC(=C)C)CCC(=C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-18-16(17)19(11-8-14(3)4)12-9-15(5)6/h1,3,5,7-12H2,2,4,6H3,(H2,17,18)
InChIKeyDPABFWDZPDTZJM-UHFFFAOYSA-N
XLogP3.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
N,N-diisopentenylguanidine
CID 129686283
N'-(2-methylprop-2-enyl)pyrrolidine-1-carboximidamide
CID 130714980
1,2-Dimethyl-3-(2-methylidenebutyl)guanidine
CID 130729853

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(3-methylbut-3-enyl)guanidine?
The IUPAC name of 1,1,2-tris(3-methylbut-3-enyl)guanidine (CID 163189609) is 1,1,2-tris(3-methylbut-3-enyl)guanidine.
What is the SMILES notation for 1,1,2-tris(3-methylbut-3-enyl)guanidine?
The canonical SMILES for 1,1,2-tris(3-methylbut-3-enyl)guanidine is C=C(C)CC/N=C(\N)N(CCC(=C)C)CCC(=C)C.
What is the InChIKey of 1,1,2-tris(3-methylbut-3-enyl)guanidine?
The InChIKey is DPABFWDZPDTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)7-10-18-16(17)19(11-8-14(3)4)12-9-15(5)6/h1,3,5,7-12H2,2,4,6H3,(H2,17,18).
What are the key properties of 1,1,2-tris(3-methylbut-3-enyl)guanidine?
1,1,2-tris(3-methylbut-3-enyl)guanidine has a molecular weight of 263.43 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(3-methylbut-3-enyl)guanidine is sourced from PubChem (CID 163189609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).