3-amino-2-butyl-1,1-dimethylguanidine

C7H18N4 — CID 104883389

IUPAC3-amino-2-butyl-1,1-dimethylguanidine
SMILESCCCC/N=C(/NN)N(C)C
InChIInChI=1S/C7H18N4/c1-4-5-6-9-7(10-8)11(2)3/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyNQOAPCVEITXDDS-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.17
Rot. Bonds3

About 3-amino-2-butyl-1,1-dimethylguanidine

3-amino-2-butyl-1,1-dimethylguanidine (PubChem CID 104883389) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-amino-2-butyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1,1-dimethylguanidine
PubChem CID104883389
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name3-amino-2-butyl-1,1-dimethylguanidine
SMILESCCCC/N=C(/NN)N(C)C
InChIInChI=1S/C7H18N4/c1-4-5-6-9-7(10-8)11(2)3/h4-6,8H2,1-3H3,(H,9,10)
InChIKeyNQOAPCVEITXDDS-UHFFFAOYSA-N
XLogP0.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
2-Ethyl-1,1,3-trimethyl-3-(methylamino)guanidine
CID 144392543
[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide
CID 163987125
1-Amino-2-[4-(dimethylamino)butyl]guanidine
CID 64866669
3-Amino-1,2-dimethyl-1-propan-2-ylguanidine
CID 104881962
3-Amino-2-methyl-1,1-dipropylguanidine
CID 104881963
3-Amino-1-butyl-1,2-dimethylguanidine
CID 104881964
3-Amino-1-butyl-1-ethyl-2-methylguanidine
CID 104881965
3-Amino-1,1-dibutyl-2-methylguanidine
CID 104881968
3-Amino-1,2-dimethyl-1-propylguanidine
CID 104881974
3-Amino-1-ethyl-2-methyl-1-propan-2-ylguanidine
CID 104881976
3-Amino-1,2-dimethyl-1-(2-methylpropyl)guanidine
CID 104881978

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butyl-1,1-dimethylguanidine?
The IUPAC name of 3-amino-2-butyl-1,1-dimethylguanidine (CID 104883389) is 3-amino-2-butyl-1,1-dimethylguanidine.
What is the SMILES notation for 3-amino-2-butyl-1,1-dimethylguanidine?
The canonical SMILES for 3-amino-2-butyl-1,1-dimethylguanidine is CCCC/N=C(/NN)N(C)C.
What is the InChIKey of 3-amino-2-butyl-1,1-dimethylguanidine?
The InChIKey is NQOAPCVEITXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-4-5-6-9-7(10-8)11(2)3/h4-6,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-2-butyl-1,1-dimethylguanidine?
3-amino-2-butyl-1,1-dimethylguanidine has a molecular weight of 158.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1,1-dimethylguanidine is sourced from PubChem (CID 104883389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).