2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile

C14H29N3O — CID 55140695

IUPAC2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-5-16-14(2,13-15)9-6-7-10-17(3)11-8-12-18-4/h16H,5-12H2,1-4H3
InChIKeyJTJNXCJUHTWJFV-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.02
Rot. Bonds11

About 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile

2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile (PubChem CID 55140695) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile
PubChem CID55140695
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile
SMILESCCNC(C)(C#N)CCCCN(C)CCCOC
InChIInChI=1S/C14H29N3O/c1-5-16-14(2,13-15)9-6-7-10-17(3)11-8-12-18-4/h16H,5-12H2,1-4H3
InChIKeyJTJNXCJUHTWJFV-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile?
The IUPAC name of 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile (CID 55140695) is 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile.
What is the SMILES notation for 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile?
The canonical SMILES for 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile is CCNC(C)(C#N)CCCCN(C)CCCOC.
What is the InChIKey of 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile?
The InChIKey is JTJNXCJUHTWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-16-14(2,13-15)9-6-7-10-17(3)11-8-12-18-4/h16H,5-12H2,1-4H3.
What are the key properties of 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile?
2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile has a molecular weight of 255.41 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[3-methoxypropyl(methyl)amino]-2-methylhexanenitrile is sourced from PubChem (CID 55140695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).