2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

C12H22N2 — CID 83142379

IUPAC2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(CNCc1ccc[nH]1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(12(2,3)4)8-13-9-11-6-5-7-14-11/h5-7,10,13-14H,8-9H2,1-4H3
InChIKeyIDHBSYJUDFJQGA-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.79
Rot. Bonds4

About 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (PubChem CID 83142379) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
PubChem CID83142379
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(CNCc1ccc[nH]1)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-10(12(2,3)4)8-13-9-11-6-5-7-14-11/h5-7,10,13-14H,8-9H2,1-4H3
InChIKeyIDHBSYJUDFJQGA-UHFFFAOYSA-N
XLogP2.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
CID 45098136
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
CID 115258536
1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
tert-butyl N-[3-methyl-2-(1H-pyrrol-2-ylmethylamino)butyl]carbamate
CID 107254102
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574
4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (CID 83142379) is 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is CC(CNCc1ccc[nH]1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The InChIKey is IDHBSYJUDFJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(12(2,3)4)8-13-9-11-6-5-7-14-11/h5-7,10,13-14H,8-9H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 83142379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).