(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide

C6H15N4- — CID 163987126

IUPAC(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide
SMILESCCCC/N=C(\[NH-])N(C)N
InChIInChI=1S/C6H15N4/c1-3-4-5-9-6(7)10(2)8/h3-5,8H2,1-2H3,(H-,7,9)/q-1
InChIKeyCWLODMROAJCVGP-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.00
Rot. Bonds3

About (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide

(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide (PubChem CID 163987126) has the molecular formula C6H15N4- and a molecular weight of 143.21 g/mol. Its IUPAC name is (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide.

Molecular Properties

Compound Name(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide
PubChem CID163987126
Molecular FormulaC6H15N4-
Molecular Weight143.21 g/mol
Exact Mass143.13
IUPAC Name(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide
SMILESCCCC/N=C(\[NH-])N(C)N
InChIInChI=1S/C6H15N4/c1-3-4-5-9-6(7)10(2)8/h3-5,8H2,1-2H3,(H-,7,9)/q-1
InChIKeyCWLODMROAJCVGP-UHFFFAOYSA-N
XLogP1.00
TPSA65.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

1-Amino-2-butylguanidine
CID 12228579
2-propyl-2H-1,3,5-triazine-1,4,6-triamine
CID 21081841
1-Amino-1-methyl-2-propan-2-ylguanidine
CID 123332022
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1,3-Diamino-2-butylguanidine
CID 156529285
[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide
CID 163987125
1-(Dimethylamino)-2-ethylguanidine
CID 83017823
1-(Dimethylamino)-2-propylguanidine
CID 83026391
3-Amino-2-butyl-1,1-dimethylguanidine
CID 104883389
1-Amino-2-butyl-3-(dimethylamino)guanidine
CID 104887907
1-Amino-1,2-diethylguanidine
CID 174270075

Frequently Asked Questions

What is the IUPAC name of (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide?
The IUPAC name of (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide (CID 163987126) is (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide.
What is the SMILES notation for (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide?
The canonical SMILES for (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide is CCCC/N=C(\[NH-])N(C)N.
What is the InChIKey of (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide?
The InChIKey is CWLODMROAJCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N4/c1-3-4-5-9-6(7)10(2)8/h3-5,8H2,1-2H3,(H-,7,9)/q-1.
What are the key properties of (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide?
(N-amino-N'-butyl-N-methylcarbamimidoyl)azanide has a molecular weight of 143.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-amino-N'-butyl-N-methylcarbamimidoyl)azanide is sourced from PubChem (CID 163987126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).