1-(dimethylamino)-2,3-di(propan-2-yl)guanidine

C9H22N4 — CID 102263494

IUPAC1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NC(C)C)NN(C)C
InChIInChI=1S/C9H22N4/c1-7(2)10-9(11-8(3)4)12-13(5)6/h7-8H,1-6H3,(H2,10,11,12)
InChIKeyLJXQOHNXRTWTPF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.81
Rot. Bonds3

About 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine

1-(dimethylamino)-2,3-di(propan-2-yl)guanidine (PubChem CID 102263494) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
PubChem CID102263494
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(\NC(C)C)NN(C)C
InChIInChI=1S/C9H22N4/c1-7(2)10-9(11-8(3)4)12-13(5)6/h7-8H,1-6H3,(H2,10,11,12)
InChIKeyLJXQOHNXRTWTPF-UHFFFAOYSA-N
XLogP0.81
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.81
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethylimino-N-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-amine
CID 136006588
1-Amino-3-propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883046
1-Amino-3-propan-2-yl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885806
1-Amino-2-(2,2-difluoroethyl)-3-propan-2-ylguanidine
CID 104887791
1-Amino-3-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888055
1-Amino-2-propyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937746
1-Amino-3-propan-2-yl-2-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937754
1-Amino-2-butyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937764
1-Amino-2-ethyl-3-(1,1,1-trifluoropropan-2-yl)guanidine
CID 127007448
1-Amino-2-(2-fluoroethyl)-3-propan-2-ylguanidine
CID 130505163
1-Amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine
CID 131209402
1-Amino-2,3-di(propan-2-yl)guanidine
CID 12159619

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine (CID 102263494) is 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(\NC(C)C)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine?
The InChIKey is LJXQOHNXRTWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-7(2)10-9(11-8(3)4)12-13(5)6/h7-8H,1-6H3,(H2,10,11,12).
What are the key properties of 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine?
1-(dimethylamino)-2,3-di(propan-2-yl)guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 102263494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).