N-(oxan-3-ylmethyl)nonan-1-amine

C15H31NO — CID 61020606

IUPACN-(oxan-3-ylmethyl)nonan-1-amine
SMILESCCCCCCCCCNCC1CCCOC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-16-13-15-10-9-12-17-14-15/h15-16H,2-14H2,1H3
InChIKeyGWXGAAFIHOUPOV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

About N-(oxan-3-ylmethyl)nonan-1-amine

N-(oxan-3-ylmethyl)nonan-1-amine (PubChem CID 61020606) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)nonan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)nonan-1-amine
PubChem CID61020606
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(oxan-3-ylmethyl)nonan-1-amine
SMILESCCCCCCCCCNCC1CCCOC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-16-13-15-10-9-12-17-14-15/h15-16H,2-14H2,1H3
InChIKeyGWXGAAFIHOUPOV-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
3-octyloxane
CID 69236112
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)nonan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)nonan-1-amine (CID 61020606) is N-(oxan-3-ylmethyl)nonan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)nonan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)nonan-1-amine is CCCCCCCCCNCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)nonan-1-amine?
The InChIKey is GWXGAAFIHOUPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-11-16-13-15-10-9-12-17-14-15/h15-16H,2-14H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)nonan-1-amine?
N-(oxan-3-ylmethyl)nonan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)nonan-1-amine is sourced from PubChem (CID 61020606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).