N-ethyloctan-1-amine;hydrate;hydrobromide

C10H26BrNO — CID 174973287

IUPACN-ethyloctan-1-amine;hydrate;hydrobromide
SMILESBr.CCCCCCCCNCC.O
InChIInChI=1S/C10H23N.BrH.H2O/c1-3-5-6-7-8-9-10-11-4-2;;/h11H,3-10H2,1-2H3;1H;1H2
InChIKeyYLFSMIQWAFITQO-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.71
Rot. Bonds8

About N-ethyloctan-1-amine;hydrate;hydrobromide

N-ethyloctan-1-amine;hydrate;hydrobromide (PubChem CID 174973287) has the molecular formula C10H26BrNO and a molecular weight of 256.23 g/mol. Its IUPAC name is N-ethyloctan-1-amine;hydrate;hydrobromide.

Molecular Properties

Compound NameN-ethyloctan-1-amine;hydrate;hydrobromide
PubChem CID174973287
Molecular FormulaC10H26BrNO
Molecular Weight256.23 g/mol
Exact Mass255.12
IUPAC NameN-ethyloctan-1-amine;hydrate;hydrobromide
SMILESBr.CCCCCCCCNCC.O
InChIInChI=1S/C10H23N.BrH.H2O/c1-3-5-6-7-8-9-10-11-4-2;;/h11H,3-10H2,1-2H3;1H;1H2
InChIKeyYLFSMIQWAFITQO-UHFFFAOYSA-N
XLogP2.71
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.71
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
ethane;N-ethylhexan-1-amine
CID 143229911
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,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-ethyloctan-1-amine;hydrate;hydrobromide?
The IUPAC name of N-ethyloctan-1-amine;hydrate;hydrobromide (CID 174973287) is N-ethyloctan-1-amine;hydrate;hydrobromide.
What is the SMILES notation for N-ethyloctan-1-amine;hydrate;hydrobromide?
The canonical SMILES for N-ethyloctan-1-amine;hydrate;hydrobromide is Br.CCCCCCCCNCC.O.
What is the InChIKey of N-ethyloctan-1-amine;hydrate;hydrobromide?
The InChIKey is YLFSMIQWAFITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.BrH.H2O/c1-3-5-6-7-8-9-10-11-4-2;;/h11H,3-10H2,1-2H3;1H;1H2.
What are the key properties of N-ethyloctan-1-amine;hydrate;hydrobromide?
N-ethyloctan-1-amine;hydrate;hydrobromide has a molecular weight of 256.23 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloctan-1-amine;hydrate;hydrobromide is sourced from PubChem (CID 174973287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).