2-ethylhexan-1-amine;dihydrochloride

C8H21Cl2N — CID 142641821

IUPAC2-ethylhexan-1-amine;dihydrochloride
SMILESCCCCC(CC)CN.Cl.Cl
InChIInChI=1S/C8H19N.2ClH/c1-3-5-6-8(4-2)7-9;;/h8H,3-7,9H2,1-2H3;2*1H
InChIKeyOKSWALPATFVFPJ-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.01
Rot. Bonds5

About 2-ethylhexan-1-amine;dihydrochloride

2-ethylhexan-1-amine;dihydrochloride (PubChem CID 142641821) has the molecular formula C8H21Cl2N and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-ethylhexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-ethylhexan-1-amine;dihydrochloride
PubChem CID142641821
Molecular FormulaC8H21Cl2N
Molecular Weight202.17 g/mol
Exact Mass201.11
IUPAC Name2-ethylhexan-1-amine;dihydrochloride
SMILESCCCCC(CC)CN.Cl.Cl
InChIInChI=1S/C8H19N.2ClH/c1-3-5-6-8(4-2)7-9;;/h8H,3-7,9H2,1-2H3;2*1H
InChIKeyOKSWALPATFVFPJ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-ethylhexan-1-amine
CID 6999997
2-ethylhexan-1-amine;hydrate
CID 173045208
2-butylhexan-1-amine
CID 54041151
2-butylpropane-1,3-diamine;ethane
CID 142824010
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
2-ethylundecane-1,11-diamine
CID 118354607
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
2-ethyl-4-methyloctan-1-amine
CID 21358746
(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
2-propylheptan-1-amine
CID 21267775

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-amine;dihydrochloride?
The IUPAC name of 2-ethylhexan-1-amine;dihydrochloride (CID 142641821) is 2-ethylhexan-1-amine;dihydrochloride.
What is the SMILES notation for 2-ethylhexan-1-amine;dihydrochloride?
The canonical SMILES for 2-ethylhexan-1-amine;dihydrochloride is CCCCC(CC)CN.Cl.Cl.
What is the InChIKey of 2-ethylhexan-1-amine;dihydrochloride?
The InChIKey is OKSWALPATFVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.2ClH/c1-3-5-6-8(4-2)7-9;;/h8H,3-7,9H2,1-2H3;2*1H.
What are the key properties of 2-ethylhexan-1-amine;dihydrochloride?
2-ethylhexan-1-amine;dihydrochloride has a molecular weight of 202.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-amine;dihydrochloride is sourced from PubChem (CID 142641821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).