2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile

C14H27N3O — CID 106803889

IUPAC2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CCOCC1CC1
InChIInChI=1S/C14H27N3O/c1-3-14(16,12-15)7-4-8-17(2)9-10-18-11-13-5-6-13/h13H,3-11,16H2,1-2H3
InChIKeyZLTIWYAJKNOVAB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.76
Rot. Bonds10

About 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile

2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile (PubChem CID 106803889) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
PubChem CID106803889
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CCOCC1CC1
InChIInChI=1S/C14H27N3O/c1-3-14(16,12-15)7-4-8-17(2)9-10-18-11-13-5-6-13/h13H,3-11,16H2,1-2H3
InChIKeyZLTIWYAJKNOVAB-UHFFFAOYSA-N
XLogP1.76
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.76
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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Related Compounds

2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
CID 115873242
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
CID 112698309
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
2-amino-2-ethyl-5-[2-(3-methoxypropoxy)ethoxy]pentanenitrile
CID 106804965
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile?
The IUPAC name of 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile (CID 106803889) is 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile.
What is the SMILES notation for 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile?
The canonical SMILES for 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile is CCC(N)(C#N)CCCN(C)CCOCC1CC1.
What is the InChIKey of 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile?
The InChIKey is ZLTIWYAJKNOVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-14(16,12-15)7-4-8-17(2)9-10-18-11-13-5-6-13/h13H,3-11,16H2,1-2H3.
What are the key properties of 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile?
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile is sourced from PubChem (CID 106803889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).