2,3-di(propan-2-yl)-1,1-dipropylguanidine

C13H29N3 — CID 101420420

IUPAC2,3-di(propan-2-yl)-1,1-dipropylguanidine
SMILESCCCN(CCC)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C13H29N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h11-12H,7-10H2,1-6H3,(H,14,15)
InChIKeyFRALUTKTQRVPNU-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.87
Rot. Bonds6

About 2,3-di(propan-2-yl)-1,1-dipropylguanidine

2,3-di(propan-2-yl)-1,1-dipropylguanidine (PubChem CID 101420420) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,1-dipropylguanidine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,1-dipropylguanidine
PubChem CID101420420
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2,3-di(propan-2-yl)-1,1-dipropylguanidine
SMILESCCCN(CCC)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C13H29N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h11-12H,7-10H2,1-6H3,(H,14,15)
InChIKeyFRALUTKTQRVPNU-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,1-dipropylguanidine?
The IUPAC name of 2,3-di(propan-2-yl)-1,1-dipropylguanidine (CID 101420420) is 2,3-di(propan-2-yl)-1,1-dipropylguanidine.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,1-dipropylguanidine?
The canonical SMILES for 2,3-di(propan-2-yl)-1,1-dipropylguanidine is CCCN(CCC)/C(=N\C(C)C)NC(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,1-dipropylguanidine?
The InChIKey is FRALUTKTQRVPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-7-9-16(10-8-2)13(14-11(3)4)15-12(5)6/h11-12H,7-10H2,1-6H3,(H,14,15).
What are the key properties of 2,3-di(propan-2-yl)-1,1-dipropylguanidine?
2,3-di(propan-2-yl)-1,1-dipropylguanidine has a molecular weight of 227.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,1-dipropylguanidine is sourced from PubChem (CID 101420420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).