2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile

C14H29N3 — CID 106803332

IUPAC2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)C(C)CC(C)C
InChIInChI=1S/C14H29N3/c1-6-14(16,11-15)8-7-9-17(5)13(4)10-12(2)3/h12-13H,6-10,16H2,1-5H3
InChIKeyXOCRIIWVCTXLRI-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.76
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile

2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile (PubChem CID 106803332) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
PubChem CID106803332
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)C(C)CC(C)C
InChIInChI=1S/C14H29N3/c1-6-14(16,11-15)8-7-9-17(5)13(4)10-12(2)3/h12-13H,6-10,16H2,1-5H3
InChIKeyXOCRIIWVCTXLRI-UHFFFAOYSA-N
XLogP2.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
CID 64682040
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile (CID 106803332) is 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile is CCC(N)(C#N)CCCN(C)C(C)CC(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The InChIKey is XOCRIIWVCTXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-14(16,11-15)8-7-9-17(5)13(4)10-12(2)3/h12-13H,6-10,16H2,1-5H3.
What are the key properties of 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 106803332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).