[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone

C11H15N3O — CID 123420430

IUPAC[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
SMILESNCC1CN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C11H15N3O/c12-5-8-6-14(7-8)11(15)9-1-3-10(13)4-2-9/h1-4,8H,5-7,12-13H2
InChIKeyKIKFOJICMRHPIZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.30
Rot. Bonds2

About [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone

[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone (PubChem CID 123420430) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
PubChem CID123420430
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
SMILESNCC1CN(C(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C11H15N3O/c12-5-8-6-14(7-8)11(15)9-1-3-10(13)4-2-9/h1-4,8H,5-7,12-13H2
InChIKeyKIKFOJICMRHPIZ-UHFFFAOYSA-N
XLogP0.30
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
2-[1-[4-(2-aminoethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605400
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
2-[1-[4-(aminomethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605014
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone?
The IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone (CID 123420430) is [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone?
The canonical SMILES for [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone is NCC1CN(C(=O)c2ccc(N)cc2)C1.
What is the InChIKey of [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone?
The InChIKey is KIKFOJICMRHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-5-8-6-14(7-8)11(15)9-1-3-10(13)4-2-9/h1-4,8H,5-7,12-13H2.
What are the key properties of [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone?
[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone has a molecular weight of 205.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone is sourced from PubChem (CID 123420430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).