N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

C15H29NO — CID 102896574

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO/c1-2-3-7-12-16-13-14-8-11-15(17-14)9-5-4-6-10-15/h14,16H,2-13H2,1H3
InChIKeyDRTVFUKYGNUIIJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds6

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (PubChem CID 102896574) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
PubChem CID102896574
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO/c1-2-3-7-12-16-13-14-8-11-15(17-14)9-5-4-6-10-15/h14,16H,2-13H2,1H3
InChIKeyDRTVFUKYGNUIIJ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
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

1-Oxa-7-azaspiro(4.5)decane
CID 22618189
4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
(1-Oxaspiro[4.5]decan-2-yl)methanamine
CID 86775345
2-Methyl-1-oxa-4-azaspiro[5.5]undecane
CID 55262469
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (CID 102896574) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is CCCCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The InChIKey is DRTVFUKYGNUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-7-12-16-13-14-8-11-15(17-14)9-5-4-6-10-15/h14,16H,2-13H2,1H3.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 102896574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).