2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile

C15H29N3O — CID 63973536

IUPAC2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(COC)CC1
InChIInChI=1S/C15H29N3O/c1-4-17-15(2,13-16)8-5-9-18-10-6-14(7-11-18)12-19-3/h14,17H,4-12H2,1-3H3
InChIKeyNUJJMLLWQNHXSG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.02
Rot. Bonds8

About 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile

2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile (PubChem CID 63973536) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
PubChem CID63973536
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN1CCC(COC)CC1
InChIInChI=1S/C15H29N3O/c1-4-17-15(2,13-16)8-5-9-18-10-6-14(7-11-18)12-19-3/h14,17H,4-12H2,1-3H3
InChIKeyNUJJMLLWQNHXSG-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile (CID 63973536) is 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile is CCNC(C)(C#N)CCCN1CCC(COC)CC1.
What is the InChIKey of 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
The InChIKey is NUJJMLLWQNHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-17-15(2,13-16)8-5-9-18-10-6-14(7-11-18)12-19-3/h14,17H,4-12H2,1-3H3.
What are the key properties of 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile?
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile is sourced from PubChem (CID 63973536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).