3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline

C13H18N2 — CID 103111509

IUPAC3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline
SMILESCc1c(N)cccc1CN1CC2(CC2)C1
InChIInChI=1S/C13H18N2/c1-10-11(3-2-4-12(10)14)7-15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3
InChIKeyRDPAWAIACBVUPJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.17
Rot. Bonds2

About 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline

3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline (PubChem CID 103111509) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline
PubChem CID103111509
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline
SMILESCc1c(N)cccc1CN1CC2(CC2)C1
InChIInChI=1S/C13H18N2/c1-10-11(3-2-4-12(10)14)7-15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3
InChIKeyRDPAWAIACBVUPJ-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline?
The IUPAC name of 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline (CID 103111509) is 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline.
What is the SMILES notation for 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline?
The canonical SMILES for 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline is Cc1c(N)cccc1CN1CC2(CC2)C1.
What is the InChIKey of 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline?
The InChIKey is RDPAWAIACBVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-11(3-2-4-12(10)14)7-15-8-13(9-15)5-6-13/h2-4H,5-9,14H2,1H3.
What are the key properties of 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline?
3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline has a molecular weight of 202.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline is sourced from PubChem (CID 103111509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).