3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane

C19H38N2 — CID 64848074

IUPAC3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCN1CC(C(C)CC)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-4-6-7-11-14-21-15-18(17(3)5-2)20-16-19(21)12-9-8-10-13-19/h17-18,20H,4-16H2,1-3H3
InChIKeyDIYUMZAHLQRVHY-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds7

About 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane

3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64848074) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
PubChem CID64848074
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCN1CC(C(C)CC)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-4-6-7-11-14-21-15-18(17(3)5-2)20-16-19(21)12-9-8-10-13-19/h17-18,20H,4-16H2,1-3H3
InChIKeyDIYUMZAHLQRVHY-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
8-butan-2-yl-6-(2-propan-2-yloxyethyl)-6,9-diazaspiro[4.5]decane
CID 64850001
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
8-butan-2-yl-6-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane
CID 65462680
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
CID 107898013
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane (CID 64848074) is 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane is CCCCCCN1CC(C(C)CC)NCC12CCCCC2.
What is the InChIKey of 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is DIYUMZAHLQRVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-6-7-11-14-21-15-18(17(3)5-2)20-16-19(21)12-9-8-10-13-19/h17-18,20H,4-16H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane?
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64848074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).