2-Cyano-1,1-bis(2-methylpropyl)guanidine

C10H20N4 — CID 20245303

IUPAC2-cyano-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)C(=NC#N)N
InChIInChI=1S/C10H20N4/c1-8(2)5-14(6-9(3)4)10(12)13-7-11/h8-9H,5-6H2,1-4H3,(H2,12,13)
InChIKeyMBDRAZUMZRPZGS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.10
Rot. Bonds5

About 2-Cyano-1,1-bis(2-methylpropyl)guanidine

2-Cyano-1,1-bis(2-methylpropyl)guanidine (PubChem CID 20245303) has the molecular formula C10H20N4 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-1,1-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-Cyano-1,1-bis(2-methylpropyl)guanidine
PubChem CID20245303
Molecular FormulaC10H20N4
Molecular Weight196.29 g/mol
Exact Mass196.17
IUPAC Name2-cyano-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)C(=NC#N)N
InChIInChI=1S/C10H20N4/c1-8(2)5-14(6-9(3)4)10(12)13-7-11/h8-9H,5-6H2,1-4H3,(H2,12,13)
InChIKeyMBDRAZUMZRPZGS-UHFFFAOYSA-N
XLogP2.10
TPSA65.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity224

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.10
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

Guanidine, 3-cyano-1,1-dibutyl-
CID 3024534
6,6-Dimethyl-1-propyl-1,3,5-triazine-2,4-diamine
CID 427467
N,N-dibutylimidodicarbonimidic diamide
CID 58400
1-Cyano-3,3-bis(propan-2-yl)guanidine
CID 11252236
1,1-Bis(2-methylpropyl)guanidine
CID 9485
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
CID 9570964
2-(2-Methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364568
Biguanide, 1-isopentyl-1-methyl-, monohydrochloride
CID 145945242
Biguanide, 1-isobutyl-1-methyl-, monohydrochloride
CID 176529364
1,1-Dibutylbiguanide hydrochloride
CID 71332599
1-Butyl-1,2-diethylguanidine
CID 18516527
1,1,2-Tripropylguanidine
CID 19361178

Frequently Asked Questions

What is the IUPAC name of 2-Cyano-1,1-bis(2-methylpropyl)guanidine?
The IUPAC name of 2-Cyano-1,1-bis(2-methylpropyl)guanidine (CID 20245303) is 2-cyano-1,1-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 2-Cyano-1,1-bis(2-methylpropyl)guanidine?
The canonical SMILES for 2-Cyano-1,1-bis(2-methylpropyl)guanidine is CC(C)CN(CC(C)C)C(=NC#N)N.
What is the InChIKey of 2-Cyano-1,1-bis(2-methylpropyl)guanidine?
The InChIKey is MBDRAZUMZRPZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)5-14(6-9(3)4)10(12)13-7-11/h8-9H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 2-Cyano-1,1-bis(2-methylpropyl)guanidine?
2-Cyano-1,1-bis(2-methylpropyl)guanidine has a molecular weight of 196.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Cyano-1,1-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 20245303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).