(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide

C8H15N3O — CID 129495415

IUPAC(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
SMILES[H]/N=C(\N)N1C[C@@H]2C[C@@H](C1)C2OC
InChIInChI=1S/C8H15N3O/c1-12-7-5-2-6(7)4-11(3-5)8(9)10/h5-7H,2-4H2,1H3,(H3,9,10)/t5-,6-/m0/s1
InChIKeyGYPZXAOZIUREAS-WDSKDSINSA-N
MW169.23 g/mol
LogP-0.15
Rot. Bonds1

About (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide

(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide (PubChem CID 129495415) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide.

Molecular Properties

Compound Name(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
PubChem CID129495415
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
SMILES[H]/N=C(\N)N1C[C@@H]2C[C@@H](C1)C2OC
InChIInChI=1S/C8H15N3O/c1-12-7-5-2-6(7)4-11(3-5)8(9)10/h5-7H,2-4H2,1H3,(H3,9,10)/t5-,6-/m0/s1
InChIKeyGYPZXAOZIUREAS-WDSKDSINSA-N
XLogP-0.15
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxyazetidine-1-carboximidamide;hydrochloride
CID 154776397
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
CID 129498097
4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
CID 170614400
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
CID 45088464
3-methoxypiperidine-1-carboximidamide
CID 19089238
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide
CID 129498943
(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
CID 129496972
3-chloro-1-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one
CID 121202208
(E)-4-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-oxobut-2-enoic acid
CID 121202210
4-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]-4-oxobutanoic acid
CID 129495856

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide?
The IUPAC name of (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide (CID 129495415) is (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide.
What is the SMILES notation for (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide?
The canonical SMILES for (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide is [H]/N=C(\N)N1C[C@@H]2C[C@@H](C1)C2OC.
What is the InChIKey of (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide?
The InChIKey is GYPZXAOZIUREAS-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O/c1-12-7-5-2-6(7)4-11(3-5)8(9)10/h5-7H,2-4H2,1H3,(H3,9,10)/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide?
(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide is sourced from PubChem (CID 129495415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).