butan-2-amine;(2R)-butan-2-amine;methane

C9H26N2 — CID 160926504

IUPACbutan-2-amine;(2R)-butan-2-amine;methane
SMILESC.CCC(C)N.CC[C@@H](C)N
InChIInChI=1S/2C4H11N.CH4/c2*1-3-4(2)5;/h2*4H,3,5H2,1-2H3;1H4/t4-;;/m1../s1
InChIKeySSSCTJLARHOVEX-RZFWHQLPSA-N
MW162.32 g/mol
LogP2.12
Rot. Bonds2

About butan-2-amine;(2R)-butan-2-amine;methane

butan-2-amine;(2R)-butan-2-amine;methane (PubChem CID 160926504) has the molecular formula C9H26N2 and a molecular weight of 162.32 g/mol. Its IUPAC name is butan-2-amine;(2R)-butan-2-amine;methane.

Molecular Properties

Compound Namebutan-2-amine;(2R)-butan-2-amine;methane
PubChem CID160926504
Molecular FormulaC9H26N2
Molecular Weight162.32 g/mol
Exact Mass162.21
IUPAC Namebutan-2-amine;(2R)-butan-2-amine;methane
SMILESC.CCC(C)N.CC[C@@H](C)N
InChIInChI=1S/2C4H11N.CH4/c2*1-3-4(2)5;/h2*4H,3,5H2,1-2H3;1H4/t4-;;/m1../s1
InChIKeySSSCTJLARHOVEX-RZFWHQLPSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-amine;(2R)-butan-2-amine;methane?
The IUPAC name of butan-2-amine;(2R)-butan-2-amine;methane (CID 160926504) is butan-2-amine;(2R)-butan-2-amine;methane.
What is the SMILES notation for butan-2-amine;(2R)-butan-2-amine;methane?
The canonical SMILES for butan-2-amine;(2R)-butan-2-amine;methane is C.CCC(C)N.CC[C@@H](C)N.
What is the InChIKey of butan-2-amine;(2R)-butan-2-amine;methane?
The InChIKey is SSSCTJLARHOVEX-RZFWHQLPSA-N. The full InChI is InChI=1S/2C4H11N.CH4/c2*1-3-4(2)5;/h2*4H,3,5H2,1-2H3;1H4/t4-;;/m1../s1.
What are the key properties of butan-2-amine;(2R)-butan-2-amine;methane?
butan-2-amine;(2R)-butan-2-amine;methane has a molecular weight of 162.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;(2R)-butan-2-amine;methane is sourced from PubChem (CID 160926504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).