9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C16H32N2 — CID 64878139

IUPAC9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCC(C)CN1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C16H32N2/c1-5-14(4)11-18-12-16(8-6-7-9-16)17-10-15(18)13(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyLGHREZVGGJQPED-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64878139) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64878139
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCC(C)CN1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C16H32N2/c1-5-14(4)11-18-12-16(8-6-7-9-16)17-10-15(18)13(2)3/h13-15,17H,5-12H2,1-4H3
InChIKeyLGHREZVGGJQPED-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
8-methyl-9-(2-methylpentyl)-6,9-diazaspiro[4.5]decane
CID 64875816
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
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64833062
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106329736
9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946727

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64878139) is 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CCC(C)CN1CC2(CCCC2)NCC1C(C)C.
What is the InChIKey of 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is LGHREZVGGJQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-14(4)11-18-12-16(8-6-7-9-16)17-10-15(18)13(2)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).