4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C19H36N2 — CID 64934612

IUPAC4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1C1CCCCCC1
InChIInChI=1S/C19H36N2/c1-16(2)18-14-20-19(12-8-5-9-13-19)15-21(18)17-10-6-3-4-7-11-17/h16-18,20H,3-15H2,1-2H3
InChIKeyQJUJCOKLZMROBV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.34
Rot. Bonds2

About 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64934612) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64934612
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1C1CCCCCC1
InChIInChI=1S/C19H36N2/c1-16(2)18-14-20-19(12-8-5-9-13-19)15-21(18)17-10-6-3-4-7-11-17/h16-18,20H,3-15H2,1-2H3
InChIKeyQJUJCOKLZMROBV-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-9-(2,2,3,3-tetramethylcyclopropyl)-6,9-diazaspiro[4.5]decane
CID 79350195
9-(2,2-dimethylcyclopentyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79879064
4-(2-methyloxolan-3-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82736919
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64875697
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946727
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64934612) is 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QJUJCOKLZMROBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-16(2)18-14-20-19(12-8-5-9-13-19)15-21(18)17-10-6-3-4-7-11-17/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.51 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64934612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).