1,1,2,3,3-penta(propan-2-yl)guanidine

C16H35N3 — CID 10989314

IUPAC1,1,2,3,3-penta(propan-2-yl)guanidine
SMILESCC(C)N=C(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H35N3/c1-11(2)17-16(18(12(3)4)13(5)6)19(14(7)8)15(9)10/h11-15H,1-10H3
InChIKeyYKRBTEJVESWMGV-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.99
Rot. Bonds5

About 1,1,2,3,3-penta(propan-2-yl)guanidine

1,1,2,3,3-penta(propan-2-yl)guanidine (PubChem CID 10989314) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1,1,2,3,3-penta(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,1,2,3,3-penta(propan-2-yl)guanidine
PubChem CID10989314
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1,1,2,3,3-penta(propan-2-yl)guanidine
SMILESCC(C)N=C(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H35N3/c1-11(2)17-16(18(12(3)4)13(5)6)19(14(7)8)15(9)10/h11-15H,1-10H3
InChIKeyYKRBTEJVESWMGV-UHFFFAOYSA-N
XLogP3.99
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-penta(propan-2-yl)guanidine?
The IUPAC name of 1,1,2,3,3-penta(propan-2-yl)guanidine (CID 10989314) is 1,1,2,3,3-penta(propan-2-yl)guanidine.
What is the SMILES notation for 1,1,2,3,3-penta(propan-2-yl)guanidine?
The canonical SMILES for 1,1,2,3,3-penta(propan-2-yl)guanidine is CC(C)N=C(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 1,1,2,3,3-penta(propan-2-yl)guanidine?
The InChIKey is YKRBTEJVESWMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-11(2)17-16(18(12(3)4)13(5)6)19(14(7)8)15(9)10/h11-15H,1-10H3.
What are the key properties of 1,1,2,3,3-penta(propan-2-yl)guanidine?
1,1,2,3,3-penta(propan-2-yl)guanidine has a molecular weight of 269.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-penta(propan-2-yl)guanidine is sourced from PubChem (CID 10989314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).