9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane

C18H27ClN2 — CID 64878549

IUPAC9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3
InChIKeyDTWSLBWXOHQEKC-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.23
Rot. Bonds3

About 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane

9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64878549) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64878549
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3
InChIKeyDTWSLBWXOHQEKC-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65489382
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 79263913
8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 80697005
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850040
9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64876428
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64842460
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane (CID 64878549) is 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane is CCC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is DTWSLBWXOHQEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-3-17(2)13-20-18(10-4-5-11-18)14-21(17)12-15-6-8-16(19)9-7-15/h6-9,20H,3-5,10-14H2,1-2H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane?
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 306.88 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).