3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine

C13H24N2 — CID 66411114

IUPAC3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
SMILESCCCn1cccc1CNC(C)C(C)C
InChIInChI=1S/C13H24N2/c1-5-8-15-9-6-7-13(15)10-14-12(4)11(2)3/h6-7,9,11-12,14H,5,8,10H2,1-4H3
InChIKeyJOSNZMLVMUGYHY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.03
Rot. Bonds6

About 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine

3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine (PubChem CID 66411114) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
PubChem CID66411114
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
SMILESCCCn1cccc1CNC(C)C(C)C
InChIInChI=1S/C13H24N2/c1-5-8-15-9-6-7-13(15)10-14-12(4)11(2)3/h6-7,9,11-12,14H,5,8,10H2,1-4H3
InChIKeyJOSNZMLVMUGYHY-UHFFFAOYSA-N
XLogP3.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81375246
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-ethyl-1-propylpyrrole;hydrofluoride
CID 175874487
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
N-[(1-propylpyrrol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 66413550
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
CID 66412673
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine (CID 66411114) is 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine is CCCn1cccc1CNC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine?
The InChIKey is JOSNZMLVMUGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-8-15-9-6-7-13(15)10-14-12(4)11(2)3/h6-7,9,11-12,14H,5,8,10H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine?
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 66411114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).