2-propan-2-yl-2,5-dihydropyrrol-1-amine

C7H14N2 — CID 123365938

IUPAC2-propan-2-yl-2,5-dihydropyrrol-1-amine
SMILESCC(C)C1C=CCN1N
InChIInChI=1S/C7H14N2/c1-6(2)7-4-3-5-9(7)8/h3-4,6-7H,5,8H2,1-2H3
InChIKeyAXSVFWKUGZYTCM-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.76
Rot. Bonds1

About 2-propan-2-yl-2,5-dihydropyrrol-1-amine

2-propan-2-yl-2,5-dihydropyrrol-1-amine (PubChem CID 123365938) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-propan-2-yl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-2,5-dihydropyrrol-1-amine
PubChem CID123365938
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-propan-2-yl-2,5-dihydropyrrol-1-amine
SMILESCC(C)C1C=CCN1N
InChIInChI=1S/C7H14N2/c1-6(2)7-4-3-5-9(7)8/h3-4,6-7H,5,8H2,1-2H3
InChIKeyAXSVFWKUGZYTCM-UHFFFAOYSA-N
XLogP0.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-2,5-dihydropyrrol-1-amine
CID 67681007
2-Methyl-2,5-dihydropyrrol-1-amine
CID 77335107
3-Propan-2-yl-2,5-dihydropyrrol-1-amine
CID 89331133
2-Ethyl-2,5-dihydropyrrol-1-amine
CID 123625774
1-Hex-4-en-3-yl-1-methylhydrazine
CID 123989746
2,5-Dimethyl-2,5-dihydropyrrol-1-amine
CID 137466749
Ethane;2-methyl-2,5-dihydropyrrol-1-amine
CID 142392343
1-(3-Methylbutyl)-1-pent-3-en-2-ylhydrazine
CID 170087589

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 2-propan-2-yl-2,5-dihydropyrrol-1-amine (CID 123365938) is 2-propan-2-yl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 2-propan-2-yl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 2-propan-2-yl-2,5-dihydropyrrol-1-amine is CC(C)C1C=CCN1N.
What is the InChIKey of 2-propan-2-yl-2,5-dihydropyrrol-1-amine?
The InChIKey is AXSVFWKUGZYTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-4-3-5-9(7)8/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,5-dihydropyrrol-1-amine?
2-propan-2-yl-2,5-dihydropyrrol-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 123365938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).