1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

C10H24N4 — CID 62358802

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C10H24N4/c1-8(2)14(9(3)4)7-6-13-10(11)12-5/h8-9H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyMABAOMLKSSEEBL-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (PubChem CID 62358802) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
PubChem CID62358802
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C10H24N4/c1-8(2)14(9(3)4)7-6-13-10(11)12-5/h8-9H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyMABAOMLKSSEEBL-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (CID 62358802) is 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is C/N=C(\N)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The InChIKey is MABAOMLKSSEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-8(2)14(9(3)4)7-6-13-10(11)12-5/h8-9H,6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine has a molecular weight of 200.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 62358802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).