1-benzhydrylazetidine-3-carboximidamide

C17H19N3 — CID 142148150

IUPAC1-benzhydrylazetidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H19N3/c18-17(19)15-11-20(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H3,18,19)
InChIKeyJEXRNBLMSDPYFX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.64
Rot. Bonds4

About 1-benzhydrylazetidine-3-carboximidamide

1-benzhydrylazetidine-3-carboximidamide (PubChem CID 142148150) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzhydrylazetidine-3-carboximidamide.

Molecular Properties

Compound Name1-benzhydrylazetidine-3-carboximidamide
PubChem CID142148150
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-benzhydrylazetidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H19N3/c18-17(19)15-11-20(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H3,18,19)
InChIKeyJEXRNBLMSDPYFX-UHFFFAOYSA-N
XLogP2.64
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.64
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

1-benzhydryl-N'-hydroxyazetidine-3-carboximidamide
CID 21305029
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
(3S)-1-benzhydrylpiperidin-3-amine
CID 126674117
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
1-benzhydrylaziridin-2-ol
CID 22253575
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylazetidine-3-carboximidamide?
The IUPAC name of 1-benzhydrylazetidine-3-carboximidamide (CID 142148150) is 1-benzhydrylazetidine-3-carboximidamide.
What is the SMILES notation for 1-benzhydrylazetidine-3-carboximidamide?
The canonical SMILES for 1-benzhydrylazetidine-3-carboximidamide is [H]/N=C(\N)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydrylazetidine-3-carboximidamide?
The InChIKey is JEXRNBLMSDPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-17(19)15-11-20(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H3,18,19).
What are the key properties of 1-benzhydrylazetidine-3-carboximidamide?
1-benzhydrylazetidine-3-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylazetidine-3-carboximidamide is sourced from PubChem (CID 142148150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).