1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine

C13H28N2 — CID 115316239

IUPAC1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCCC(CCC)N1CCCC1CNC
InChIInChI=1S/C13H28N2/c1-4-7-12(8-5-2)15-10-6-9-13(15)11-14-3/h12-14H,4-11H2,1-3H3
InChIKeyPCBLGXQPKMESTB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds7

About 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine

1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 115316239) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID115316239
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCCC(CCC)N1CCCC1CNC
InChIInChI=1S/C13H28N2/c1-4-7-12(8-5-2)15-10-6-9-13(15)11-14-3/h12-14H,4-11H2,1-3H3
InChIKeyPCBLGXQPKMESTB-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine (CID 115316239) is 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine is CCCC(CCC)N1CCCC1CNC.
What is the InChIKey of 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is PCBLGXQPKMESTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-7-12(8-5-2)15-10-6-9-13(15)11-14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine?
1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptan-4-ylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115316239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).