2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide

C15H31N3O — CID 62009796

IUPAC2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(CC)C(CC)(CC)CN)C1CC1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2,12-16)17(7-3)11-14(19)18(8-4)13-9-10-13/h13H,5-12,16H2,1-4H3
InChIKeyCMOAAZMHRLFRIO-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds9

About 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide

2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 62009796) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
PubChem CID62009796
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(CC)C(CC)(CC)CN)C1CC1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2,12-16)17(7-3)11-14(19)18(8-4)13-9-10-13/h13H,5-12,16H2,1-4H3
InChIKeyCMOAAZMHRLFRIO-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide (CID 62009796) is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN(CC)C(CC)(CC)CN)C1CC1.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is CMOAAZMHRLFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-15(6-2,12-16)17(7-3)11-14(19)18(8-4)13-9-10-13/h13H,5-12,16H2,1-4H3.
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide?
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 62009796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).