1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine

C11H26N4 — CID 104884261

IUPAC1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
SMILESCCCC(CC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C11H26N4/c1-5-7-10(6-2)14-11(15-12)13-8-9(3)4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15)
InChIKeyFHLUGEBSMMCKDM-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.63
Rot. Bonds6

About 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine

1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine (PubChem CID 104884261) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
PubChem CID104884261
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
SMILESCCCC(CC)N/C(=N/CC(C)C)NN
InChIInChI=1S/C11H26N4/c1-5-7-10(6-2)14-11(15-12)13-8-9(3)4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15)
InChIKeyFHLUGEBSMMCKDM-UHFFFAOYSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

1-(Dimethylamino)-2,3-di(propan-2-yl)guanidine
CID 102263494
1-Amino-2-(2-methylpropyl)-3-(5,5,5-trifluoropentyl)guanidine
CID 104888078
1-Amino-2-(2-methylpropyl)-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937759
1-Amino-2,3-dicyclohexylguanidine
CID 9816156
1-Amino-2,3-di(propan-2-yl)guanidine
CID 12159619
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium chloride
CID 17968546
[4-[(N-amino-N'-methylcarbamimidoyl)amino]cyclohexyl]-trimethylazanium
CID 17968547
1-Amino-3-[4-(dimethylamino)cyclohexyl]-2-methylguanidine
CID 17968570
1-Amino-2-ethyl-3-propan-2-ylguanidine
CID 19743615
3-Amino-1,2-dimethyl-1-[4-(methylamino)cyclohexyl]guanidine
CID 57559055
1-Amino-3-(4-aminocyclohexyl)-2-methylguanidine
CID 57559056
1-amino-3-[(1R,2R)-2-aminocyclohexyl]-2-methylguanidine
CID 57559058

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine (CID 104884261) is 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine is CCCC(CC)N/C(=N/CC(C)C)NN.
What is the InChIKey of 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine?
The InChIKey is FHLUGEBSMMCKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-7-10(6-2)14-11(15-12)13-8-9(3)4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine?
1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine has a molecular weight of 214.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).