ethane;N-ethylhexan-1-amine

C12H31N — CID 143229911

IUPACethane;N-ethylhexan-1-amine
SMILESCC.CC.CCCCCCNCC
InChIInChI=1S/C8H19N.2C2H6/c1-3-5-6-7-8-9-4-2;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyUCQWRULXTTVKEP-UHFFFAOYSA-N
MW189.39 g/mol
LogP4.23
Rot. Bonds6

About ethane;N-ethylhexan-1-amine

ethane;N-ethylhexan-1-amine (PubChem CID 143229911) has the molecular formula C12H31N and a molecular weight of 189.39 g/mol. Its IUPAC name is ethane;N-ethylhexan-1-amine.

Molecular Properties

Compound Nameethane;N-ethylhexan-1-amine
PubChem CID143229911
Molecular FormulaC12H31N
Molecular Weight189.39 g/mol
Exact Mass189.25
IUPAC Nameethane;N-ethylhexan-1-amine
SMILESCC.CC.CCCCCCNCC
InChIInChI=1S/C8H19N.2C2H6/c1-3-5-6-7-8-9-4-2;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyUCQWRULXTTVKEP-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
ethane;N-ethylethanamine;heptane
CID 144585900
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylhexan-1-amine?
The IUPAC name of ethane;N-ethylhexan-1-amine (CID 143229911) is ethane;N-ethylhexan-1-amine.
What is the SMILES notation for ethane;N-ethylhexan-1-amine?
The canonical SMILES for ethane;N-ethylhexan-1-amine is CC.CC.CCCCCCNCC.
What is the InChIKey of ethane;N-ethylhexan-1-amine?
The InChIKey is UCQWRULXTTVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.2C2H6/c1-3-5-6-7-8-9-4-2;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-ethylhexan-1-amine?
ethane;N-ethylhexan-1-amine has a molecular weight of 189.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylhexan-1-amine is sourced from PubChem (CID 143229911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).