2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine

C11H20N2 — CID 158754569

IUPAC2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1=NC=CC1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-9-5-7-10-6-4-8-12-10/h4,8,13H,5-7,9H2,1-3H3
InChIKeyINXCHOKOFLETCJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine

2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine (PubChem CID 158754569) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine
PubChem CID158754569
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1=NC=CC1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-9-5-7-10-6-4-8-12-10/h4,8,13H,5-7,9H2,1-3H3
InChIKeyINXCHOKOFLETCJ-UHFFFAOYSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426938
(1R)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426953
2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine
CID 121241393
N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
CID 123206074
N-(3H-pyrrol-2-ylmethyl)but-3-en-1-amine
CID 130382602
N,2,2-trimethyl-1,4-dihydropyridin-3-imine
CID 141185006
(Z)-1-(butan-2-ylideneamino)-N-ethylhex-1-en-2-amine
CID 141880142
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086778
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
CID 145274030
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
CID 155735826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine (CID 158754569) is 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine is CC(C)(C)NCCCC1=NC=CC1.
What is the InChIKey of 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine?
The InChIKey is INXCHOKOFLETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)13-9-5-7-10-6-4-8-12-10/h4,8,13H,5-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine?
2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3H-pyrrol-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 158754569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).