3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane

C16H29ClN2 — CID 107901725

IUPAC3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC(C)C1CNC2(CCCCC2)CN1C/C=C/Cl
InChIInChI=1S/C16H29ClN2/c1-3-14(2)15-12-18-16(8-5-4-6-9-16)13-19(15)11-7-10-17/h7,10,14-15,18H,3-6,8-9,11-13H2,1-2H3/b10-7+
InChIKeyQDVJPHAQRBBWLO-JXMROGBWSA-N
MW284.87 g/mol
LogP3.76
Rot. Bonds4

About 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane

3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 107901725) has the molecular formula C16H29ClN2 and a molecular weight of 284.87 g/mol. Its IUPAC name is 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
PubChem CID107901725
Molecular FormulaC16H29ClN2
Molecular Weight284.87 g/mol
Exact Mass284.20
IUPAC Name3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC(C)C1CNC2(CCCCC2)CN1C/C=C/Cl
InChIInChI=1S/C16H29ClN2/c1-3-14(2)15-12-18-16(8-5-4-6-9-16)13-19(15)11-7-10-17/h7,10,14-15,18H,3-6,8-9,11-13H2,1-2H3/b10-7+
InChIKeyQDVJPHAQRBBWLO-JXMROGBWSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
CID 107901805
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane (CID 107901725) is 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane is CCC(C)C1CNC2(CCCCC2)CN1C/C=C/Cl.
What is the InChIKey of 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is QDVJPHAQRBBWLO-JXMROGBWSA-N. The full InChI is InChI=1S/C16H29ClN2/c1-3-14(2)15-12-18-16(8-5-4-6-9-16)13-19(15)11-7-10-17/h7,10,14-15,18H,3-6,8-9,11-13H2,1-2H3/b10-7+.
What are the key properties of 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane?
3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 284.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107901725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).