N-butyl-1-oxaspiro[5.5]undecan-4-amine

C14H27NO — CID 79897622

IUPACN-butyl-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-3-10-15-13-7-11-16-14(12-13)8-5-4-6-9-14/h13,15H,2-12H2,1H3
InChIKeyWMMSQPAPQSRENZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About N-butyl-1-oxaspiro[5.5]undecan-4-amine

N-butyl-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79897622) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-butyl-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-butyl-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79897622
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-butyl-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NO/c1-2-3-10-15-13-7-11-16-14(12-13)8-5-4-6-9-14/h13,15H,2-12H2,1H3
InChIKeyWMMSQPAPQSRENZ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
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

N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
CID 106336440
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
CID 65082535
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-butyl-1-oxaspiro[5.5]undecan-4-amine (CID 79897622) is N-butyl-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-butyl-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-butyl-1-oxaspiro[5.5]undecan-4-amine is CCCCNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-butyl-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is WMMSQPAPQSRENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-10-15-13-7-11-16-14(12-13)8-5-4-6-9-14/h13,15H,2-12H2,1H3.
What are the key properties of N-butyl-1-oxaspiro[5.5]undecan-4-amine?
N-butyl-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).