N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine

C12H22N2 — CID 174808289

IUPACN-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine
SMILESCC(C)N(CCC1=CC=NC1)C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)14(11(3)4)8-6-12-5-7-13-9-12/h5,7,10-11H,6,8-9H2,1-4H3
InChIKeyJDAHGUQPRBGHGF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.51
Rot. Bonds5

About N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine

N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine (PubChem CID 174808289) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine
PubChem CID174808289
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine
SMILESCC(C)N(CCC1=CC=NC1)C(C)C
InChIInChI=1S/C12H22N2/c1-10(2)14(11(3)4)8-6-12-5-7-13-9-12/h5,7,10-11H,6,8-9H2,1-4H3
InChIKeyJDAHGUQPRBGHGF-UHFFFAOYSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine (CID 174808289) is N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine is CC(C)N(CCC1=CC=NC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine?
The InChIKey is JDAHGUQPRBGHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14(11(3)4)8-6-12-5-7-13-9-12/h5,7,10-11H,6,8-9H2,1-4H3.
What are the key properties of N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine?
N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 174808289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).