2-methylbutan-2-amine;propane

C8H21N — CID 91035545

IUPAC2-methylbutan-2-amine;propane
SMILESCCC.CCC(C)(C)N
InChIInChI=1S/C5H13N.C3H8/c1-4-5(2,3)6;1-3-2/h4,6H2,1-3H3;3H2,1-2H3
InChIKeyPDHWUGIXDYFCKC-UHFFFAOYSA-N
MW131.26 g/mol
LogP2.55
Rot. Bonds1

About 2-methylbutan-2-amine;propane

2-methylbutan-2-amine;propane (PubChem CID 91035545) has the molecular formula C8H21N and a molecular weight of 131.26 g/mol. Its IUPAC name is 2-methylbutan-2-amine;propane.

Molecular Properties

Compound Name2-methylbutan-2-amine;propane
PubChem CID91035545
Molecular FormulaC8H21N
Molecular Weight131.26 g/mol
Exact Mass131.17
IUPAC Name2-methylbutan-2-amine;propane
SMILESCCC.CCC(C)(C)N
InChIInChI=1S/C5H13N.C3H8/c1-4-5(2,3)6;1-3-2/h4,6H2,1-3H3;3H2,1-2H3
InChIKeyPDHWUGIXDYFCKC-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;hydrate;hydrobromide
CID 175153237
bis(2-methylpropan-2-amine);propane
CID 160822364
3,3-dimethylpentane;propane
CID 90942978
2-aminobutan-2-ol;propane
CID 174346487
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
ethane;2-methylbutan-2-amine;1-methylpyrrolidine
CID 167503292
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,4-diethyl-4-methylhexan-3-amine
CID 89098047

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-amine;propane?
The IUPAC name of 2-methylbutan-2-amine;propane (CID 91035545) is 2-methylbutan-2-amine;propane.
What is the SMILES notation for 2-methylbutan-2-amine;propane?
The canonical SMILES for 2-methylbutan-2-amine;propane is CCC.CCC(C)(C)N.
What is the InChIKey of 2-methylbutan-2-amine;propane?
The InChIKey is PDHWUGIXDYFCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H8/c1-4-5(2,3)6;1-3-2/h4,6H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-methylbutan-2-amine;propane?
2-methylbutan-2-amine;propane has a molecular weight of 131.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-amine;propane is sourced from PubChem (CID 91035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).