ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine

C14H29NO — CID 142883519

IUPACethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine
SMILESCC.CC(C)C.CC(C)c1coc(CN)c1
InChIInChI=1S/C8H13NO.C4H10.C2H6/c1-6(2)7-3-8(4-9)10-5-7;1-4(2)3;1-2/h3,5-6H,4,9H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyABVBBUYFBADVRU-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.55
Rot. Bonds2

About ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine

ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine (PubChem CID 142883519) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine.

Molecular Properties

Compound Nameethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine
PubChem CID142883519
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine
SMILESCC.CC(C)C.CC(C)c1coc(CN)c1
InChIInChI=1S/C8H13NO.C4H10.C2H6/c1-6(2)7-3-8(4-9)10-5-7;1-4(2)3;1-2/h3,5-6H,4,9H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyABVBBUYFBADVRU-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine?
The IUPAC name of ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine (CID 142883519) is ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine.
What is the SMILES notation for ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine?
The canonical SMILES for ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine is CC.CC(C)C.CC(C)c1coc(CN)c1.
What is the InChIKey of ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine?
The InChIKey is ABVBBUYFBADVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C4H10.C2H6/c1-6(2)7-3-8(4-9)10-5-7;1-4(2)3;1-2/h3,5-6H,4,9H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine?
ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine has a molecular weight of 227.39 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;(4-propan-2-ylfuran-2-yl)methanamine is sourced from PubChem (CID 142883519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).