2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine

C11H20N2 — CID 158427711

IUPAC2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1=CCN=C1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyDCOXENJYVHSRAF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.17
Rot. Bonds4

About 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine

2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine (PubChem CID 158427711) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
PubChem CID158427711
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1=CCN=C1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyDCOXENJYVHSRAF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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

N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine
CID 57152754
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 90823842
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
(5E)-2,11,15-triazabicyclo[11.3.0]hexadeca-1(13),5,11-triene
CID 129194793
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine (CID 158427711) is 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine is CC(C)(C)NCCCC1=CCN=C1.
What is the InChIKey of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?
The InChIKey is DCOXENJYVHSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?
2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.17, 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-(2H-pyrrol-4-yl)propyl]propan-2-amine is sourced from PubChem (CID 158427711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).