2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine

C15H32N2 — CID 80557427

IUPAC2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCCC1C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-15(4,12-16)17-11-8-9-14(17)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyCTEJFRRDYKPFDU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds7

About 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine

2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine (PubChem CID 80557427) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
PubChem CID80557427
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCCC1C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-15(4,12-16)17-11-8-9-14(17)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyCTEJFRRDYKPFDU-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
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 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine?
The IUPAC name of 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine (CID 80557427) is 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine?
The canonical SMILES for 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine is CCCCCC(C)(CN)N1CCCC1C(C)C.
What is the InChIKey of 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine?
The InChIKey is CTEJFRRDYKPFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-10-15(4,12-16)17-11-8-9-14(17)13(2)3/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine?
2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-ylpyrrolidin-1-yl)heptan-1-amine is sourced from PubChem (CID 80557427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).