N-methyl-1-(oxan-4-yl)nonan-5-amine

C15H31NO — CID 114192171

IUPACN-methyl-1-(oxan-4-yl)nonan-5-amine
SMILESCCCCC(CCCCC1CCOCC1)NC
InChIInChI=1S/C15H31NO/c1-3-4-8-15(16-2)9-6-5-7-14-10-12-17-13-11-14/h14-16H,3-13H2,1-2H3
InChIKeyDFCZTVDOCAQHOA-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About N-methyl-1-(oxan-4-yl)nonan-5-amine

N-methyl-1-(oxan-4-yl)nonan-5-amine (PubChem CID 114192171) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)nonan-5-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)nonan-5-amine
PubChem CID114192171
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-methyl-1-(oxan-4-yl)nonan-5-amine
SMILESCCCCC(CCCCC1CCOCC1)NC
InChIInChI=1S/C15H31NO/c1-3-4-8-15(16-2)9-6-5-7-14-10-12-17-13-11-14/h14-16H,3-13H2,1-2H3
InChIKeyDFCZTVDOCAQHOA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
[6-(oxan-4-yl)-1-(oxolan-3-yl)hexan-2-yl]hydrazine
CID 114193386
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-(oxan-4-yl)dodecan-5-one
CID 114192976
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)nonan-5-amine?
The IUPAC name of N-methyl-1-(oxan-4-yl)nonan-5-amine (CID 114192171) is N-methyl-1-(oxan-4-yl)nonan-5-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)nonan-5-amine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)nonan-5-amine is CCCCC(CCCCC1CCOCC1)NC.
What is the InChIKey of N-methyl-1-(oxan-4-yl)nonan-5-amine?
The InChIKey is DFCZTVDOCAQHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-8-15(16-2)9-6-5-7-14-10-12-17-13-11-14/h14-16H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-4-yl)nonan-5-amine?
N-methyl-1-(oxan-4-yl)nonan-5-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)nonan-5-amine is sourced from PubChem (CID 114192171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).