2-ethylhexan-1-amine;hydrate

C8H21NO — CID 173045208

IUPAC2-ethylhexan-1-amine;hydrate
SMILESCCCCC(CC)CN.O
InChIInChI=1S/C8H19N.H2O/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H2
InChIKeyCJTILPJETJPWLF-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.34
Rot. Bonds5

About 2-ethylhexan-1-amine;hydrate

2-ethylhexan-1-amine;hydrate (PubChem CID 173045208) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is 2-ethylhexan-1-amine;hydrate.

Molecular Properties

Compound Name2-ethylhexan-1-amine;hydrate
PubChem CID173045208
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Name2-ethylhexan-1-amine;hydrate
SMILESCCCCC(CC)CN.O
InChIInChI=1S/C8H19N.H2O/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H2
InChIKeyCJTILPJETJPWLF-UHFFFAOYSA-N
XLogP1.34
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.34
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;dihydrochloride
CID 142641821
2-butylhexan-1-amine
CID 54041151
2-butylpropane-1,3-diamine;ethane
CID 142824010
3-aminopropanenitrile;carbonic acid;2-ethylhexan-1-amine
CID 173088078
2-ethylundecane-1,11-diamine
CID 118354607
2-ethyl-4-methyloctan-1-amine
CID 21358746
(2S)-2-hexyldecan-1-amine
CID 129368307
2-hexyloctadecan-1-amine
CID 87546751
2-dodecylhexadecan-1-amine
CID 23048605
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
2-propylheptan-1-amine
CID 21267775

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-amine;hydrate?
The IUPAC name of 2-ethylhexan-1-amine;hydrate (CID 173045208) is 2-ethylhexan-1-amine;hydrate.
What is the SMILES notation for 2-ethylhexan-1-amine;hydrate?
The canonical SMILES for 2-ethylhexan-1-amine;hydrate is CCCCC(CC)CN.O.
What is the InChIKey of 2-ethylhexan-1-amine;hydrate?
The InChIKey is CJTILPJETJPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H2O/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H2.
What are the key properties of 2-ethylhexan-1-amine;hydrate?
2-ethylhexan-1-amine;hydrate has a molecular weight of 147.26 g/mol, XLogP of 1.34, 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;hydrate is sourced from PubChem (CID 173045208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).