ethane;N-(2-methoxyethyl)hexan-1-amine

C11H27NO — CID 177359501

IUPACethane;N-(2-methoxyethyl)hexan-1-amine
SMILESCC.CCCCCCNCCOC
InChIInChI=1S/C9H21NO.C2H6/c1-3-4-5-6-7-10-8-9-11-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyTYJWRKJPVQSVSS-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.83
Rot. Bonds8

About ethane;N-(2-methoxyethyl)hexan-1-amine

ethane;N-(2-methoxyethyl)hexan-1-amine (PubChem CID 177359501) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)hexan-1-amine
PubChem CID177359501
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;N-(2-methoxyethyl)hexan-1-amine
SMILESCC.CCCCCCNCCOC
InChIInChI=1S/C9H21NO.C2H6/c1-3-4-5-6-7-10-8-9-11-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyTYJWRKJPVQSVSS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-(2-methoxyethyl)hexan-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

Related Compounds

N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of ethane;N-(2-methoxyethyl)hexan-1-amine (CID 177359501) is ethane;N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for ethane;N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for ethane;N-(2-methoxyethyl)hexan-1-amine is CC.CCCCCCNCCOC.
What is the InChIKey of ethane;N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is TYJWRKJPVQSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C2H6/c1-3-4-5-6-7-10-8-9-11-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)hexan-1-amine?
ethane;N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 189.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 177359501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).