1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine

C13H24N2 — CID 79107801

IUPAC1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCC(C)C)c1
InChIInChI=1S/C13H24N2/c1-4-5-13(14)12-7-9-15(10-12)8-6-11(2)3/h7,9-11,13H,4-6,8,14H2,1-3H3
InChIKeyZJYWFMDTTVMJLN-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.33
Rot. Bonds6

About 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine

1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79107801) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
PubChem CID79107801
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCC(C)C)c1
InChIInChI=1S/C13H24N2/c1-4-5-13(14)12-7-9-15(10-12)8-6-11(2)3/h7,9-11,13H,4-6,8,14H2,1-3H3
InChIKeyZJYWFMDTTVMJLN-UHFFFAOYSA-N
XLogP3.33
TPSA30.95 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315
3-[3-(1-aminobutyl)pyrrol-1-yl]propane-1,2-diol
CID 82851108
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108388
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79110021
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108390
1-[1-[(3,3-difluorocyclopentyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114224432
1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79110132
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109540
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79107942

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine (CID 79107801) is 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(CCC(C)C)c1.
What is the InChIKey of 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is ZJYWFMDTTVMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-13(14)12-7-9-15(10-12)8-6-11(2)3/h7,9-11,13H,4-6,8,14H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine?
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79107801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).