ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine

C8H23N — CID 142338134

IUPACethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
SMILESCC.CC(C)NC(C)C.[H][H]
InChIInChI=1S/C6H15N.C2H6.H2/c1-5(2)7-6(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H
InChIKeyOZAPJXRRXQRPPR-UHFFFAOYSA-N
MW133.28 g/mol
LogP2.66
Rot. Bonds2

About ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine

ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine (PubChem CID 142338134) has the molecular formula C8H23N and a molecular weight of 133.28 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
PubChem CID142338134
Molecular FormulaC8H23N
Molecular Weight133.28 g/mol
Exact Mass133.18
IUPAC Nameethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
SMILESCC.CC(C)NC(C)C.[H][H]
InChIInChI=1S/C6H15N.C2H6.H2/c1-5(2)7-6(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H
InChIKeyOZAPJXRRXQRPPR-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine?
The IUPAC name of ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine (CID 142338134) is ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine?
The canonical SMILES for ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine is CC.CC(C)NC(C)C.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine?
The InChIKey is OZAPJXRRXQRPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6.H2/c1-5(2)7-6(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine?
ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine has a molecular weight of 133.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 142338134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).