N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide

C11H22N4 — CID 104884844

IUPACN-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide
SMILESCCCC/N=C(\NN)N1CC2CCC1C2
InChIInChI=1S/C11H22N4/c1-2-3-6-13-11(14-12)15-8-9-4-5-10(15)7-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyCEVFOVLYOKEVBA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.09
Rot. Bonds3

About N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide

N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide (PubChem CID 104884844) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide
PubChem CID104884844
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide
SMILESCCCC/N=C(\NN)N1CC2CCC1C2
InChIInChI=1S/C11H22N4/c1-2-3-6-13-11(14-12)15-8-9-4-5-10(15)7-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyCEVFOVLYOKEVBA-UHFFFAOYSA-N
XLogP1.09
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.09
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

N-amino-N'-propyl-2-thia-5-azabicyclo[2.2.1]heptane-5-carboximidamide
CID 130679879
N-amino-N'-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887572
3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-2-ethyl-N'-propylazepane-1-carboximidamide
CID 104888675
N-amino-N'-butyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 116515128
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide?
The IUPAC name of N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide (CID 104884844) is N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide is CCCC/N=C(\NN)N1CC2CCC1C2.
What is the InChIKey of N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide?
The InChIKey is CEVFOVLYOKEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-2-3-6-13-11(14-12)15-8-9-4-5-10(15)7-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide?
N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide has a molecular weight of 210.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-2-azabicyclo[2.2.1]heptane-2-carboximidamide is sourced from PubChem (CID 104884844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).