1,1-dibutyl-2-cyanoguanidine

C10H20N4 — CID 3024534

IUPAC1,1-dibutyl-2-cyanoguanidine
SMILESCCCCN(CCCC)/C(N)=N/C#N
InChIInChI=1S/C10H20N4/c1-3-5-7-14(8-6-4-2)10(12)13-9-11/h3-8H2,1-2H3,(H2,12,13)
InChIKeyQLTMXLGLZSRPRH-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.68
Rot. Bonds6

About 1,1-dibutyl-2-cyanoguanidine

1,1-dibutyl-2-cyanoguanidine (PubChem CID 3024534) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1,1-dibutyl-2-cyanoguanidine.

Molecular Properties

Compound Name1,1-dibutyl-2-cyanoguanidine
PubChem CID3024534
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1,1-dibutyl-2-cyanoguanidine
SMILESCCCCN(CCCC)/C(N)=N/C#N
InChIInChI=1S/C10H20N4/c1-3-5-7-14(8-6-4-2)10(12)13-9-11/h3-8H2,1-2H3,(H2,12,13)
InChIKeyQLTMXLGLZSRPRH-UHFFFAOYSA-N
XLogP1.68
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Biguanide, 1,1-dipentyl-
CID 58403
1,1-Dipentylbiguanide
CID 176528677
Biguanide, 1,1-dibutyl-, monohydrochloride
CID 9570959
Biguanide, 1,1,5-tributyl-, monohydrochloride
CID 9570963
6,6-Dimethyl-1-propyl-1,3,5-triazine-2,4-diamine
CID 427467
Dibutylguanidine
CID 9496
N,N-Dibutyltriimidodicarbonic diamide--hydrogen chloride (1/1)
CID 58400
N,N'-Dibutyl-N''-cyanoguanidine
CID 370387
1,1-Dibutylbiguanide hydrochloride
CID 71332599
1-(4-Guanidinobutyl)-1-(3-guanidinopropyl)guanidine
CID 71589165
1-Cyano-3,3-bis(propan-2-yl)guanidine
CID 11252236
1-Cyano-1-(2-fluoroethyl)-2-pentylguanidine
CID 87206235

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-2-cyanoguanidine?
The IUPAC name of 1,1-dibutyl-2-cyanoguanidine (CID 3024534) is 1,1-dibutyl-2-cyanoguanidine.
What is the SMILES notation for 1,1-dibutyl-2-cyanoguanidine?
The canonical SMILES for 1,1-dibutyl-2-cyanoguanidine is CCCCN(CCCC)/C(N)=N/C#N.
What is the InChIKey of 1,1-dibutyl-2-cyanoguanidine?
The InChIKey is QLTMXLGLZSRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-7-14(8-6-4-2)10(12)13-9-11/h3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1,1-dibutyl-2-cyanoguanidine?
1,1-dibutyl-2-cyanoguanidine has a molecular weight of 196.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-2-cyanoguanidine is sourced from PubChem (CID 3024534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).