2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile

C14H27N3 — CID 106803362

IUPAC2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H27N3/c1-4-14(16,11-15)8-5-9-17(12(2)3)10-13-6-7-13/h12-13H,4-10,16H2,1-3H3
InChIKeyUWSSORCLUIHUJB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds8

About 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile

2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile (PubChem CID 106803362) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
PubChem CID106803362
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
SMILESCCC(N)(C#N)CCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H27N3/c1-4-14(16,11-15)8-5-9-17(12(2)3)10-13-6-7-13/h12-13H,4-10,16H2,1-3H3
InChIKeyUWSSORCLUIHUJB-UHFFFAOYSA-N
XLogP2.52
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
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-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
5-[cyclopropylmethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826014

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile?
The IUPAC name of 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile (CID 106803362) is 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile.
What is the SMILES notation for 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile?
The canonical SMILES for 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile is CCC(N)(C#N)CCCN(CC1CC1)C(C)C.
What is the InChIKey of 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile?
The InChIKey is UWSSORCLUIHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-14(16,11-15)8-5-9-17(12(2)3)10-13-6-7-13/h12-13H,4-10,16H2,1-3H3.
What are the key properties of 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile?
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile is sourced from PubChem (CID 106803362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).