ethane;molecular hydrogen;pentan-2-amine

C7H21N — CID 178004416

IUPACethane;molecular hydrogen;pentan-2-amine
SMILESCC.CCCC(C)N.[H][H]
InChIInChI=1S/C5H13N.C2H6.H2/c1-3-4-5(2)6;1-2;/h5H,3-4,6H2,1-2H3;1-2H3;1H
InChIKeyBVDZLCZARCYFJR-UHFFFAOYSA-N
MW119.25 g/mol
LogP2.41
Rot. Bonds2

About ethane;molecular hydrogen;pentan-2-amine

ethane;molecular hydrogen;pentan-2-amine (PubChem CID 178004416) has the molecular formula C7H21N and a molecular weight of 119.25 g/mol. Its IUPAC name is ethane;molecular hydrogen;pentan-2-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;pentan-2-amine
PubChem CID178004416
Molecular FormulaC7H21N
Molecular Weight119.25 g/mol
Exact Mass119.17
IUPAC Nameethane;molecular hydrogen;pentan-2-amine
SMILESCC.CCCC(C)N.[H][H]
InChIInChI=1S/C5H13N.C2H6.H2/c1-3-4-5(2)6;1-2;/h5H,3-4,6H2,1-2H3;1-2H3;1H
InChIKeyBVDZLCZARCYFJR-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-pentan-2-amine
CID 6997344
pentan-2-amine;propane
CID 166536368
(5R)-hexane-2,5-diamine
CID 144618459
4-propylsilylbutan-2-amine
CID 174914142
6-methylnonan-2-amine
CID 64502929
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238
1-N-ethyl-1-N-propylbutane-1,3-diamine
CID 43268683
ethane;2-methylpentane
CID 143713716
(4R,5R)-octane-4,5-diamine
CID 13138963

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;pentan-2-amine?
The IUPAC name of ethane;molecular hydrogen;pentan-2-amine (CID 178004416) is ethane;molecular hydrogen;pentan-2-amine.
What is the SMILES notation for ethane;molecular hydrogen;pentan-2-amine?
The canonical SMILES for ethane;molecular hydrogen;pentan-2-amine is CC.CCCC(C)N.[H][H].
What is the InChIKey of ethane;molecular hydrogen;pentan-2-amine?
The InChIKey is BVDZLCZARCYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H6.H2/c1-3-4-5(2)6;1-2;/h5H,3-4,6H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;pentan-2-amine?
ethane;molecular hydrogen;pentan-2-amine has a molecular weight of 119.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;pentan-2-amine is sourced from PubChem (CID 178004416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).