(4-ethyl-1-methylpyrrolidin-3-yl)methanamine

C8H18N2 — CID 84762713

IUPAC(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCCC1CN(C)CC1CN
InChIInChI=1S/C8H18N2/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6,9H2,1-2H3
InChIKeyCUIYOMCHGAVJKS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.53
Rot. Bonds2

About (4-ethyl-1-methylpyrrolidin-3-yl)methanamine

(4-ethyl-1-methylpyrrolidin-3-yl)methanamine (PubChem CID 84762713) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (4-ethyl-1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
PubChem CID84762713
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCCC1CN(C)CC1CN
InChIInChI=1S/C8H18N2/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6,9H2,1-2H3
InChIKeyCUIYOMCHGAVJKS-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (4-ethyl-1-methylpyrrolidin-3-yl)methanamine (CID 84762713) is (4-ethyl-1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (4-ethyl-1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (4-ethyl-1-methylpyrrolidin-3-yl)methanamine is CCC1CN(C)CC1CN.
What is the InChIKey of (4-ethyl-1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is CUIYOMCHGAVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (4-ethyl-1-methylpyrrolidin-3-yl)methanamine?
(4-ethyl-1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 142.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 84762713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).