N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C14H27NO3 — CID 79894953

IUPACN-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCOCCCCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-16-8-3-2-7-15-13-4-9-18-14(12-13)5-10-17-11-6-14/h13,15H,2-12H2,1H3
InChIKeyCNVMUHVTCACQKT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.73
Rot. Bonds6

About N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79894953) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79894953
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCOCCCCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-16-8-3-2-7-15-13-4-9-18-14(12-13)5-10-17-11-6-14/h13,15H,2-12H2,1H3
InChIKeyCNVMUHVTCACQKT-UHFFFAOYSA-N
XLogP1.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
CID 106237589
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79924099

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79894953) is N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine is COCCCCNC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is CNVMUHVTCACQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-16-8-3-2-7-15-13-4-9-18-14(12-13)5-10-17-11-6-14/h13,15H,2-12H2,1H3.
What are the key properties of N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 257.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79894953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).