N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine

C12H22N2 — CID 91081982

IUPACN,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
SMILESCCN(CC)CCCC1(C)C=CC=N1
InChIInChI=1S/C12H22N2/c1-4-14(5-2)11-7-9-12(3)8-6-10-13-12/h6,8,10H,4-5,7,9,11H2,1-3H3
InChIKeyXOWJAXVEIYYRAV-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.51
Rot. Bonds6

About N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine

N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine (PubChem CID 91081982) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
PubChem CID91081982
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
SMILESCCN(CC)CCCC1(C)C=CC=N1
InChIInChI=1S/C12H22N2/c1-4-14(5-2)11-7-9-12(3)8-6-10-13-12/h6,8,10H,4-5,7,9,11H2,1-3H3
InChIKeyXOWJAXVEIYYRAV-UHFFFAOYSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
2-Methyl-2-propylpyrrole
CID 57216634
N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 90823842
N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
CID 91365768
2-Methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
CID 91471365
(Z,4R)-N-methyl-4-(1-propan-2-yl-1-propyl-3,6-dihydro-2H-pyridin-1-ium-2-yl)pent-2-en-1-imine
CID 174140483
3-ethyl-N,N-dimethyl-2H-pyridin-3-amine
CID 176149356
1-tert-butyl-4-(2H-pyrrol-3-yl)piperidine
CID 157980433
3-(1-tert-butylpyrrolidin-3-yl)-2H-pyrrole
CID 157987538

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine (CID 91081982) is N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine is CCN(CC)CCCC1(C)C=CC=N1.
What is the InChIKey of N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The InChIKey is XOWJAXVEIYYRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-14(5-2)11-7-9-12(3)8-6-10-13-12/h6,8,10H,4-5,7,9,11H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 91081982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).