2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine

C10H18N2 — CID 116925231

IUPAC2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
SMILESCC(C)(N)CCCc1ccc[nH]1
InChIInChI=1S/C10H18N2/c1-10(2,11)7-3-5-9-6-4-8-12-9/h4,6,8,12H,3,5,7,11H2,1-2H3
InChIKeyORVWGWRSUCHOQS-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine

2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine (PubChem CID 116925231) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
PubChem CID116925231
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
SMILESCC(C)(N)CCCc1ccc[nH]1
InChIInChI=1S/C10H18N2/c1-10(2,11)7-3-5-9-6-4-8-12-9/h4,6,8,12H,3,5,7,11H2,1-2H3
InChIKeyORVWGWRSUCHOQS-UHFFFAOYSA-N
XLogP2.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
2-pentyl-1H-azonine
CID 174935963
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
3-(1H-pyrrol-2-yl)propyl hydrogen carbonate
CID 150891506
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
CID 67818955
4-(1H-pyrrol-2-yl)butylboronic acid
CID 57112268
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine?
The IUPAC name of 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine (CID 116925231) is 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine.
What is the SMILES notation for 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine?
The canonical SMILES for 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine is CC(C)(N)CCCc1ccc[nH]1.
What is the InChIKey of 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine?
The InChIKey is ORVWGWRSUCHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,11)7-3-5-9-6-4-8-12-9/h4,6,8,12H,3,5,7,11H2,1-2H3.
What are the key properties of 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine?
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine is sourced from PubChem (CID 116925231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).