N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine

C11H20N2O — CID 66404189

IUPACN-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C11H20N2O/c1-10(2)6-12-7-11-4-5-13(8-11)9-14-3/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyNACJGEPQZASNRZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds6

About N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66404189) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID66404189
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C11H20N2O/c1-10(2)6-12-7-11-4-5-13(8-11)9-14-3/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyNACJGEPQZASNRZ-UHFFFAOYSA-N
XLogP1.84
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406832
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
CID 79620778
2,2-dimethyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanenitrile
CID 66404601
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66403991
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66406611
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine (CID 66404189) is N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine is COCn1ccc(CNCC(C)C)c1.
What is the InChIKey of N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NACJGEPQZASNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)6-12-7-11-4-5-13(8-11)9-14-3/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).