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

C7H17N3 — CID 9405

IUPAC1,1-di(propan-2-yl)guanidine
SMILES[H]/N=C(\N)N(C(C)C)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)
InChIKeyWPAUGFDCXHHMCR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.00
Rot. Bonds2

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

1,1-di(propan-2-yl)guanidine (PubChem CID 9405) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,1-di(propan-2-yl)guanidine
PubChem CID9405
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,1-di(propan-2-yl)guanidine
SMILES[H]/N=C(\N)N(C(C)C)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)
InChIKeyWPAUGFDCXHHMCR-UHFFFAOYSA-N
XLogP1.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
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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Related Compounds

1,1-Diethylguanidine
CID 14467
N,N,N',N'-Tetraethylguanidine
CID 234841
Dibutylguanidine
CID 9496
N,N-Di-2-propanylimidoformamide
CID 19782034
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788
Trimethyl propylguanidine
CID 54447877
n,n-Dipropyl-guanidine
CID 9494
Carbamimidoyl-tri(propan-2-yl)azanium
CID 123800531
1-Propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605169
N,N,N',N'-Tetrakis(1-methylethyl)guanidine
CID 9920970
1,1-Diethyl-3,3-dimethylguanidine
CID 19087889
1,1,3,3-Tetrapropylguanidine
CID 19361341

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)guanidine?
The IUPAC name of 1,1-di(propan-2-yl)guanidine (CID 9405) is 1,1-di(propan-2-yl)guanidine.
What is the SMILES notation for 1,1-di(propan-2-yl)guanidine?
The canonical SMILES for 1,1-di(propan-2-yl)guanidine is [H]/N=C(\N)N(C(C)C)C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)guanidine?
The InChIKey is WPAUGFDCXHHMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9).
What are the key properties of 1,1-di(propan-2-yl)guanidine?
1,1-di(propan-2-yl)guanidine has a molecular weight of 143.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)guanidine is sourced from PubChem (CID 9405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).