3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine

C11H22N2 — CID 10631308

IUPAC3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine
SMILESCCCCCC1N=C(N)CC1(C)C
InChIInChI=1S/C11H22N2/c1-4-5-6-7-9-11(2,3)8-10(12)13-9/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyDZYZTVKZRAYYME-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.72
Rot. Bonds4

About 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine

3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine (PubChem CID 10631308) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine
PubChem CID10631308
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine
SMILESCCCCCC1N=C(N)CC1(C)C
InChIInChI=1S/C11H22N2/c1-4-5-6-7-9-11(2,3)8-10(12)13-9/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyDZYZTVKZRAYYME-UHFFFAOYSA-N
XLogP2.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine (CID 10631308) is 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine is CCCCCC1N=C(N)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine?
The InChIKey is DZYZTVKZRAYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-7-9-11(2,3)8-10(12)13-9/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine?
3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine has a molecular weight of 182.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 10631308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).