8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane

C18H36N2 — CID 64875646

IUPAC8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCN1CC2(CCCC2)NCC1C(C)CC
InChIInChI=1S/C18H36N2/c1-4-6-7-10-13-20-15-18(11-8-9-12-18)19-14-17(20)16(3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyWWISAPAZEQVCOB-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds7

About 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane

8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane (PubChem CID 64875646) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
PubChem CID64875646
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCN1CC2(CCCC2)NCC1C(C)CC
InChIInChI=1S/C18H36N2/c1-4-6-7-10-13-20-15-18(11-8-9-12-18)19-14-17(20)16(3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyWWISAPAZEQVCOB-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
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-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901725
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane (CID 64875646) is 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane is CCCCCCN1CC2(CCCC2)NCC1C(C)CC.
What is the InChIKey of 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane?
The InChIKey is WWISAPAZEQVCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-7-10-13-20-15-18(11-8-9-12-18)19-14-17(20)16(3)5-2/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64875646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).