3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane

C16H32N2 — CID 64849927

IUPAC3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C16H32N2/c1-4-10-18-12-15(11-14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyLWYRQGVZYMTIMJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane

3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64849927) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID64849927
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C16H32N2/c1-4-10-18-12-15(11-14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyLWYRQGVZYMTIMJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 79445456
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64849737
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane (CID 64849927) is 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane is CCCN1CC(CC(C)C)NCC12CCCCC2.
What is the InChIKey of 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is LWYRQGVZYMTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-10-18-12-15(11-14(2)3)17-13-16(18)8-6-5-7-9-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane?
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64849927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).