(2S)-2-ethylhexan-1-amine

C8H19N — CID 6999997

IUPAC(2S)-2-ethylhexan-1-amine
SMILESCCCC[C@H](CC)CN
InChIInChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyLTHNHFOGQMKPOV-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds5

About (2S)-2-ethylhexan-1-amine

(2S)-2-ethylhexan-1-amine (PubChem CID 6999997) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-2-ethylhexan-1-amine.

Molecular Properties

Compound Name(2S)-2-ethylhexan-1-amine
PubChem CID6999997
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-2-ethylhexan-1-amine
SMILESCCCC[C@H](CC)CN
InChIInChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyLTHNHFOGQMKPOV-QMMMGPOBSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-butylhexan-1-amine
CID 54041151
2-butylpropane-1,3-diamine;ethane
CID 142824010
2-ethylundecane-1,11-diamine
CID 118354607
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-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
2-propylheptan-1-amine
CID 21267775
3-aminopropanenitrile;carbonic acid;2-ethylhexan-1-amine
CID 173088078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylhexan-1-amine?
The IUPAC name of (2S)-2-ethylhexan-1-amine (CID 6999997) is (2S)-2-ethylhexan-1-amine.
What is the SMILES notation for (2S)-2-ethylhexan-1-amine?
The canonical SMILES for (2S)-2-ethylhexan-1-amine is CCCC[C@H](CC)CN.
What is the InChIKey of (2S)-2-ethylhexan-1-amine?
The InChIKey is LTHNHFOGQMKPOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethylhexan-1-amine?
(2S)-2-ethylhexan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylhexan-1-amine is sourced from PubChem (CID 6999997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).