N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine

C14H18N2 — CID 69463014

IUPACN-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine
SMILESC[C@H](NC1CN=CC12CC2)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)16-13-9-15-10-14(13)7-8-14/h2-6,10-11,13,16H,7-9H2,1H3/t11-,13?/m0/s1
InChIKeyVKOGYPWQNOCKIT-AMGKYWFPSA-N
MW214.31 g/mol
LogP2.57
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine

N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine (PubChem CID 69463014) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine
PubChem CID69463014
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine
SMILESC[C@H](NC1CN=CC12CC2)c1ccccc1
InChIInChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)16-13-9-15-10-14(13)7-8-14/h2-6,10-11,13,16H,7-9H2,1H3/t11-,13?/m0/s1
InChIKeyVKOGYPWQNOCKIT-AMGKYWFPSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine (CID 69463014) is N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine is C[C@H](NC1CN=CC12CC2)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine?
The InChIKey is VKOGYPWQNOCKIT-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(12-5-3-2-4-6-12)16-13-9-15-10-14(13)7-8-14/h2-6,10-11,13,16H,7-9H2,1H3/t11-,13?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine?
N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine has a molecular weight of 214.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-5-azaspiro[2.4]hept-4-en-7-amine is sourced from PubChem (CID 69463014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).