3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline

C14H18N2 — CID 174310706

IUPAC3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline
SMILESC=C(N)C1(c2cccc(N)c2)CC2(CC2)C1
InChIInChI=1S/C14H18N2/c1-10(15)14(8-13(9-14)5-6-13)11-3-2-4-12(16)7-11/h2-4,7H,1,5-6,8-9,15-16H2
InChIKeyNQTXSYMITYUBLX-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.55
Rot. Bonds2

About 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline

3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline (PubChem CID 174310706) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline.

Molecular Properties

Compound Name3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline
PubChem CID174310706
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline
SMILESC=C(N)C1(c2cccc(N)c2)CC2(CC2)C1
InChIInChI=1S/C14H18N2/c1-10(15)14(8-13(9-14)5-6-13)11-3-2-4-12(16)7-11/h2-4,7H,1,5-6,8-9,15-16H2
InChIKeyNQTXSYMITYUBLX-UHFFFAOYSA-N
XLogP2.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
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-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline?
The IUPAC name of 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline (CID 174310706) is 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline.
What is the SMILES notation for 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline?
The canonical SMILES for 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline is C=C(N)C1(c2cccc(N)c2)CC2(CC2)C1.
What is the InChIKey of 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline?
The InChIKey is NQTXSYMITYUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(15)14(8-13(9-14)5-6-13)11-3-2-4-12(16)7-11/h2-4,7H,1,5-6,8-9,15-16H2.
What are the key properties of 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline?
3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline has a molecular weight of 214.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-aminoethenyl)spiro[2.3]hexan-5-yl]aniline is sourced from PubChem (CID 174310706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).