3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine

C10H18N2 — CID 161195302

IUPAC3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine
SMILESCC(C)(C)C(N)CC1=CN=CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)9(11)6-8-4-5-12-7-8/h5,7,9H,4,6,11H2,1-3H3
InChIKeyOLIRGMPVFHZFDN-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.11
Rot. Bonds2

About 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine

3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine (PubChem CID 161195302) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine
PubChem CID161195302
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine
SMILESCC(C)(C)C(N)CC1=CN=CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)9(11)6-8-4-5-12-7-8/h5,7,9H,4,6,11H2,1-3H3
InChIKeyOLIRGMPVFHZFDN-UHFFFAOYSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine (CID 161195302) is 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine is CC(C)(C)C(N)CC1=CN=CC1.
What is the InChIKey of 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine?
The InChIKey is OLIRGMPVFHZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)9(11)6-8-4-5-12-7-8/h5,7,9H,4,6,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine?
3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3H-pyrrol-4-yl)butan-2-amine is sourced from PubChem (CID 161195302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).