3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine

C12H26N4 — CID 104884602

IUPAC3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
SMILESCCCCN(/C(=N/CC(C)C)NN)C1CC1
InChIInChI=1S/C12H26N4/c1-4-5-8-16(11-6-7-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyNFRZEXMUVMYXOB-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine

3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine (PubChem CID 104884602) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
PubChem CID104884602
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
SMILESCCCCN(/C(=N/CC(C)C)NN)C1CC1
InChIInChI=1S/C12H26N4/c1-4-5-8-16(11-6-7-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyNFRZEXMUVMYXOB-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
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

3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
CID 104883817
3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116515566
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
3-amino-1-cyclopropyl-1,2-diethylguanidine
CID 104883636
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 104885141
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
1-butyl-1-methyl-2-(2-methylpropyl)guanidine
CID 62360457
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111802302
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine (CID 104884602) is 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine is CCCCN(/C(=N/CC(C)C)NN)C1CC1.
What is the InChIKey of 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine?
The InChIKey is NFRZEXMUVMYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-5-8-16(11-6-7-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine?
3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104884602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).