N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine

C16H31NO2 — CID 100703721

IUPACN-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCN(CCCCC1CCOCC1)CC1CCOCC1
InChIInChI=1S/C16H31NO2/c1-17(14-16-7-12-19-13-8-16)9-3-2-4-15-5-10-18-11-6-15/h15-16H,2-14H2,1H3
InChIKeyVIYCUBGEQNPEOZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine

N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine (PubChem CID 100703721) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
PubChem CID100703721
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCN(CCCCC1CCOCC1)CC1CCOCC1
InChIInChI=1S/C16H31NO2/c1-17(14-16-7-12-19-13-8-16)9-3-2-4-15-5-10-18-11-6-15/h15-16H,2-14H2,1H3
InChIKeyVIYCUBGEQNPEOZ-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine (CID 100703721) is N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine is CN(CCCCC1CCOCC1)CC1CCOCC1.
What is the InChIKey of N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine?
The InChIKey is VIYCUBGEQNPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-17(14-16-7-12-19-13-8-16)9-3-2-4-15-5-10-18-11-6-15/h15-16H,2-14H2,1H3.
What are the key properties of N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine?
N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 100703721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).