3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine

C16H28N2 — CID 55159975

IUPAC3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H28N2/c17-15(14-6-2-3-7-14)18-12-10-16(11-13-18)8-4-1-5-9-16/h14,17H,1-13H2/b17-15+
InChIKeyKFQHVQQWZNKUGG-BMRADRMJSA-N
MW248.41 g/mol
LogP4.20
Rot. Bonds1

About 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine

3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine (PubChem CID 55159975) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
PubChem CID55159975
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H28N2/c17-15(14-6-2-3-7-14)18-12-10-16(11-13-18)8-4-1-5-9-16/h14,17H,1-13H2/b17-15+
InChIKeyKFQHVQQWZNKUGG-BMRADRMJSA-N
XLogP4.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl(cyclopropyl)methanimine
CID 63178211
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
CID 63176602
cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine
CID 63175688
cyclopentyl-(4-phenylpiperazin-1-yl)methanimine
CID 63178479
cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
CID 63175916
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine (CID 55159975) is 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine is [H]/N=C(\C1CCCC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine?
The InChIKey is KFQHVQQWZNKUGG-BMRADRMJSA-N. The full InChI is InChI=1S/C16H28N2/c17-15(14-6-2-3-7-14)18-12-10-16(11-13-18)8-4-1-5-9-16/h14,17H,1-13H2/b17-15+.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine?
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine has a molecular weight of 248.41 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine is sourced from PubChem (CID 55159975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).