2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine

C13H24N2 — CID 115867933

IUPAC2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCCC(NCc1ccn(C)c1)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-6-12(13(2,3)4)14-9-11-7-8-15(5)10-11/h7-8,10,12,14H,6,9H2,1-5H3
InChIKeyGBGPNQFSLPOZRZ-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.94
Rot. Bonds4

About 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine

2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (PubChem CID 115867933) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
PubChem CID115867933
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
SMILESCCC(NCc1ccn(C)c1)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-6-12(13(2,3)4)14-9-11-7-8-15(5)10-11/h7-8,10,12,14H,6,9H2,1-5H3
InChIKeyGBGPNQFSLPOZRZ-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-pyrrol-1-yl)piperidine
CID 21922730
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1,3-dimethyl-1H-pyrrole
CID 10964417
1H-pyrrol-3-ylmethanamine
CID 23295846
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 22891637
4-[(1H-pyrrol-1-yl)methyl]piperidine
CID 24265150
4-(1H-pyrrol-1-yl)butan-1-amine
CID 24265151
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
1-Methyl-2-(1-propyl-1H-pyrrol-3-yl)-ethylamine
CID 14739640

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine (CID 115867933) is 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine is CCC(NCc1ccn(C)c1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
The InChIKey is GBGPNQFSLPOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-12(13(2,3)4)14-9-11-7-8-15(5)10-11/h7-8,10,12,14H,6,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine?
2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115867933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).