pentan-2-amine;propane

C8H21N — CID 166536368

IUPACpentan-2-amine;propane
SMILESCCC.CCCC(C)N
InChIInChI=1S/C5H13N.C3H8/c1-3-4-5(2)6;1-3-2/h5H,3-4,6H2,1-2H3;3H2,1-2H3
InChIKeyMBQBNHBEBQXVPX-UHFFFAOYSA-N
MW131.26 g/mol
LogP2.55
Rot. Bonds2

About pentan-2-amine;propane

pentan-2-amine;propane (PubChem CID 166536368) has the molecular formula C8H21N and a molecular weight of 131.26 g/mol. Its IUPAC name is pentan-2-amine;propane.

Molecular Properties

Compound Namepentan-2-amine;propane
PubChem CID166536368
Molecular FormulaC8H21N
Molecular Weight131.26 g/mol
Exact Mass131.17
IUPAC Namepentan-2-amine;propane
SMILESCCC.CCCC(C)N
InChIInChI=1S/C5H13N.C3H8/c1-3-4-5(2)6;1-3-2/h5H,3-4,6H2,1-2H3;3H2,1-2H3
InChIKeyMBQBNHBEBQXVPX-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-pentan-2-amine
CID 6997344
ethane;molecular hydrogen;pentan-2-amine
CID 178004416
(5R)-hexane-2,5-diamine
CID 144618459
4-propylsilylbutan-2-amine
CID 174914142
6-methylnonan-2-amine
CID 64502929
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238
4-methylheptane;propane
CID 142171269
(4R,5R)-octane-4,5-diamine
CID 13138963
dodecan-2-amine;hydrochloride
CID 86195878
tetradecan-2-amine;hydrobromide
CID 175070931

Frequently Asked Questions

What is the IUPAC name of pentan-2-amine;propane?
The IUPAC name of pentan-2-amine;propane (CID 166536368) is pentan-2-amine;propane.
What is the SMILES notation for pentan-2-amine;propane?
The canonical SMILES for pentan-2-amine;propane is CCC.CCCC(C)N.
What is the InChIKey of pentan-2-amine;propane?
The InChIKey is MBQBNHBEBQXVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H8/c1-3-4-5(2)6;1-3-2/h5H,3-4,6H2,1-2H3;3H2,1-2H3.
What are the key properties of pentan-2-amine;propane?
pentan-2-amine;propane has a molecular weight of 131.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-amine;propane is sourced from PubChem (CID 166536368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).