5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine

C16H32N2 — CID 55157288

IUPAC5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
SMILESCNCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-17-12-6-3-7-13-18-14-10-16(11-15-18)8-4-2-5-9-16/h17H,2-15H2,1H3
InChIKeyXFOIHCJZEXYRCH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine

5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine (PubChem CID 55157288) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
PubChem CID55157288
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
SMILESCNCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-17-12-6-3-7-13-18-14-10-16(11-15-18)8-4-2-5-9-16/h17H,2-15H2,1H3
InChIKeyXFOIHCJZEXYRCH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
3-(5-chloropentyl)-3-azaspiro[5.5]undecane
CID 63446917
7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
CID 54606300
8-(6-chlorohexyl)-8-azaspiro[4.5]decane
CID 63447004
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-N-methylcyclohexan-1-amine
CID 65241886
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838

Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine (CID 55157288) is 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine is CNCCCCCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine?
The InChIKey is XFOIHCJZEXYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-17-12-6-3-7-13-18-14-10-16(11-15-18)8-4-2-5-9-16/h17H,2-15H2,1H3.
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine?
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 55157288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).