N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine

C11H18N2 — CID 134478810

IUPACN-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine
SMILESC=C(C)C1=C(NC(C)CC)CC=N1
InChIInChI=1S/C11H18N2/c1-5-9(4)13-10-6-7-12-11(10)8(2)3/h7,9,13H,2,5-6H2,1,3-4H3
InChIKeyLGCJXFYHONFDCL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds4

About N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine

N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine (PubChem CID 134478810) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine
PubChem CID134478810
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine
SMILESC=C(C)C1=C(NC(C)CC)CC=N1
InChIInChI=1S/C11H18N2/c1-5-9(4)13-10-6-7-12-11(10)8(2)3/h7,9,13H,2,5-6H2,1,3-4H3
InChIKeyLGCJXFYHONFDCL-UHFFFAOYSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine?
The IUPAC name of N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine (CID 134478810) is N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine.
What is the SMILES notation for N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine?
The canonical SMILES for N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine is C=C(C)C1=C(NC(C)CC)CC=N1.
What is the InChIKey of N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine?
The InChIKey is LGCJXFYHONFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9(4)13-10-6-7-12-11(10)8(2)3/h7,9,13H,2,5-6H2,1,3-4H3.
What are the key properties of N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine?
N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-prop-1-en-2-yl-3H-pyrrol-4-amine is sourced from PubChem (CID 134478810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).