ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine

C10H20N2 — CID 144518346

IUPACethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine
SMILESCC.CC1=NC(C(C)C)C(N)=C1
InChIInChI=1S/C8H14N2.C2H6/c1-5(2)8-7(9)4-6(3)10-8;1-2/h4-5,8H,9H2,1-3H3;1-2H3
InChIKeyGMCSLEWMFCOARD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds1

About ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine

ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine (PubChem CID 144518346) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine
PubChem CID144518346
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine
SMILESCC.CC1=NC(C(C)C)C(N)=C1
InChIInChI=1S/C8H14N2.C2H6/c1-5(2)8-7(9)4-6(3)10-8;1-2/h4-5,8H,9H2,1-3H3;1-2H3
InChIKeyGMCSLEWMFCOARD-UHFFFAOYSA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine?
The IUPAC name of ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine (CID 144518346) is ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine.
What is the SMILES notation for ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine?
The canonical SMILES for ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine is CC.CC1=NC(C(C)C)C(N)=C1.
What is the InChIKey of ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine?
The InChIKey is GMCSLEWMFCOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-5(2)8-7(9)4-6(3)10-8;1-2/h4-5,8H,9H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine?
ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine is sourced from PubChem (CID 144518346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).