1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine

C13H28N2 — CID 103576746

IUPAC1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
SMILESCCCCC(CC)CN1CC(C)C(N)C1
InChIInChI=1S/C13H28N2/c1-4-6-7-12(5-2)9-15-8-11(3)13(14)10-15/h11-13H,4-10,14H2,1-3H3
InChIKeyKMWXUIZMOBEUDE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds6

About 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine

1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine (PubChem CID 103576746) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
PubChem CID103576746
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
SMILESCCCCC(CC)CN1CC(C)C(N)C1
InChIInChI=1S/C13H28N2/c1-4-6-7-12(5-2)9-15-8-11(3)13(14)10-15/h11-13H,4-10,14H2,1-3H3
InChIKeyKMWXUIZMOBEUDE-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
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1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
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1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
CID 107264251
1-(2-ethylpentyl)-3-methylazetidine
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4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
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CID 158113126
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
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CID 55258928

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine (CID 103576746) is 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine is CCCCC(CC)CN1CC(C)C(N)C1.
What is the InChIKey of 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine?
The InChIKey is KMWXUIZMOBEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-7-12(5-2)9-15-8-11(3)13(14)10-15/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine?
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).