1,2-diethyl-1-(3-methylbutyl)guanidine

C10H23N3 — CID 21191512

IUPAC1,2-diethyl-1-(3-methylbutyl)guanidine
SMILESCC/N=C(\N)N(CC)CCC(C)C
InChIInChI=1S/C10H23N3/c1-5-12-10(11)13(6-2)8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyQAQVXRCRFZRGAG-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.69
Rot. Bonds5

About 1,2-diethyl-1-(3-methylbutyl)guanidine

1,2-diethyl-1-(3-methylbutyl)guanidine (PubChem CID 21191512) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,2-diethyl-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1,2-diethyl-1-(3-methylbutyl)guanidine
PubChem CID21191512
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,2-diethyl-1-(3-methylbutyl)guanidine
SMILESCC/N=C(\N)N(CC)CCC(C)C
InChIInChI=1S/C10H23N3/c1-5-12-10(11)13(6-2)8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyQAQVXRCRFZRGAG-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

Guanidine, 3-cyano-1,1-dibutyl-
CID 3024534
N,N-dimethyl-1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102528
N,N-Dibutyltriimidodicarbonic diamide--hydrogen chloride (1/1)
CID 58400
1,1-Dibutylbiguanide hydrochloride
CID 71332599
N,N-diisoamyl-guanidine
CID 103670835
1,1-Bis(2-methylpropyl)guanidine
CID 9485
Guanidine, 1-(4-aminobutyl)-1-isopentyl-
CID 560148
N1,N1-dibutyl-N5-butylbiguanide hydrochloride
CID 14047897
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
1-Butyl-1,2-diethylguanidine
CID 18516527

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-(3-methylbutyl)guanidine?
The IUPAC name of 1,2-diethyl-1-(3-methylbutyl)guanidine (CID 21191512) is 1,2-diethyl-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 1,2-diethyl-1-(3-methylbutyl)guanidine?
The canonical SMILES for 1,2-diethyl-1-(3-methylbutyl)guanidine is CC/N=C(\N)N(CC)CCC(C)C.
What is the InChIKey of 1,2-diethyl-1-(3-methylbutyl)guanidine?
The InChIKey is QAQVXRCRFZRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-12-10(11)13(6-2)8-7-9(3)4/h9H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 1,2-diethyl-1-(3-methylbutyl)guanidine?
1,2-diethyl-1-(3-methylbutyl)guanidine has a molecular weight of 185.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 21191512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).