9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane

C22H32N2 — CID 45174619

IUPAC9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
SMILESC/C(=C\c1ccccc1)CN1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C22H32N2/c1-19(14-20-6-3-2-4-7-20)15-24-13-11-22(18-24)10-5-12-23(17-22)16-21-8-9-21/h2-4,6-7,14,21H,5,8-13,15-18H2,1H3/b19-14+
InChIKeyAFILABJBQDDGEV-XMHGGMMESA-N
MW324.51 g/mol
LogP4.29
Rot. Bonds5

About 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45174619) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
PubChem CID45174619
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
SMILESC/C(=C\c1ccccc1)CN1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C22H32N2/c1-19(14-20-6-3-2-4-7-20)15-24-13-11-22(18-24)10-5-12-23(17-22)16-21-8-9-21/h2-4,6-7,14,21H,5,8-13,15-18H2,1H3/b19-14+
InChIKeyAFILABJBQDDGEV-XMHGGMMESA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane (CID 45174619) is 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane is C/C(=C\c1ccccc1)CN1CCC2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is AFILABJBQDDGEV-XMHGGMMESA-N. The full InChI is InChI=1S/C22H32N2/c1-19(14-20-6-3-2-4-7-20)15-24-13-11-22(18-24)10-5-12-23(17-22)16-21-8-9-21/h2-4,6-7,14,21H,5,8-13,15-18H2,1H3/b19-14+.
What are the key properties of 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 324.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).