N-methyl-6-octoxyhexan-3-amine

C15H33NO — CID 106800853

IUPACN-methyl-6-octoxyhexan-3-amine
SMILESCCCCCCCCOCCCC(CC)NC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-11-12-15(5-2)16-3/h15-16H,4-14H2,1-3H3
InChIKeyLQEOXQBYXQYICW-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds13

About N-methyl-6-octoxyhexan-3-amine

N-methyl-6-octoxyhexan-3-amine (PubChem CID 106800853) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-methyl-6-octoxyhexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-octoxyhexan-3-amine
PubChem CID106800853
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-methyl-6-octoxyhexan-3-amine
SMILESCCCCCCCCOCCCC(CC)NC
InChIInChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-11-12-15(5-2)16-3/h15-16H,4-14H2,1-3H3
InChIKeyLQEOXQBYXQYICW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-6-octoxyhexan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-butoxy-N-methylhexan-3-amine
CID 61483969
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
CID 159860963
CID 159860963
1-butoxydotriacontane
CID 91693232
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-octoxyhexan-3-amine?
The IUPAC name of N-methyl-6-octoxyhexan-3-amine (CID 106800853) is N-methyl-6-octoxyhexan-3-amine.
What is the SMILES notation for N-methyl-6-octoxyhexan-3-amine?
The canonical SMILES for N-methyl-6-octoxyhexan-3-amine is CCCCCCCCOCCCC(CC)NC.
What is the InChIKey of N-methyl-6-octoxyhexan-3-amine?
The InChIKey is LQEOXQBYXQYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-6-7-8-9-10-13-17-14-11-12-15(5-2)16-3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-methyl-6-octoxyhexan-3-amine?
N-methyl-6-octoxyhexan-3-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-octoxyhexan-3-amine is sourced from PubChem (CID 106800853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).